1-[(1S,4S)-4-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-cyclopenten-1-yl]-3-isopropylurea

enlarge

Systematic / IUPAC Name: 1-[(1S,4S)-4-(1-Benzyl-3,5-dimethylpyrazol-4-yl)cyclopent-2-en-1-yl]-3-propan-2-ylurea

ID: Reference9203

Other Names: Urea, N-[(1S,4S)-4-[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-(1-methylethyl)-;
NAT16-353252

Formula: C21H28N4O

Spectral Data

1-[(1S,4S)-4-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-cyclopenten-1-yl]-3-isopropylurea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 1805
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/5/2019 7:34:52 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H28N4O/c1-14(2)22-21(26)23-19-11-10-18(12-19)20-15(3)24-25(16(20)4)13-17-8-6-5-7-9-17/h5-11,14,18-19H,12-13H2,1-4H3,(H2,22,23,26)/t18-,19-/m1/s1
InChI Key HPAQHQPJVUGHJI-RTBURBONSA-N
Canonical SMILES CC1=C(C(=NN1CC2=CC=CC=C2)C)C3CC(C=C3)NC(=O)NC(C)C
CAS
Splash
Other Names Urea, N-[(1S,4S)-4-[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-(1-methylethyl)-;
NAT16-353252

In Other Databases

ChemSpider 21385715
PubChem 40777601