1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C17H22N4O — CID 68563753

IUPAC1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H22N4O/c22-17(18-10-13-4-2-1-3-5-13)21-16-8-6-14(7-9-16)15-11-19-20-12-15/h6-9,11-13H,1-5,10H2,(H,19,20)(H2,18,21,22)
InChIKeyFTWZMQWAECOXDD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.78
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68563753) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68563753
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H22N4O/c22-17(18-10-13-4-2-1-3-5-13)21-16-8-6-14(7-9-16)15-11-19-20-12-15/h6-9,11-13H,1-5,10H2,(H,19,20)(H2,18,21,22)
InChIKeyFTWZMQWAECOXDD-UHFFFAOYSA-N
XLogP3.78
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1,3-diethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581376
1,3-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581414
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
1-(3-hydroxy-1-phenylpropyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562540
1,3-diethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647070
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68563753) is 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea is O=C(NCC1CCCCC1)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is FTWZMQWAECOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(18-10-13-4-2-1-3-5-13)21-16-8-6-14(7-9-16)15-11-19-20-12-15/h6-9,11-13H,1-5,10H2,(H,19,20)(H2,18,21,22).
What are the key properties of 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68563753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).