1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea

C17H22N4O — CID 60591547

IUPAC1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)NC1CCCCC1
InChIInChI=1S/C17H22N4O/c22-17(19-15-5-2-1-3-6-15)20-16-9-7-14(8-10-16)13-21-12-4-11-18-21/h4,7-12,15H,1-3,5-6,13H2,(H2,19,20,22)
InChIKeyFNBFROVXELLOTO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.39
Rot. Bonds4

About 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea

1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 60591547) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID60591547
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)NC1CCCCC1
InChIInChI=1S/C17H22N4O/c22-17(19-15-5-2-1-3-6-15)20-16-9-7-14(8-10-16)13-21-12-4-11-18-21/h4,7-12,15H,1-3,5-6,13H2,(H2,19,20,22)
InChIKeyFNBFROVXELLOTO-UHFFFAOYSA-N
XLogP3.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)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

N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
CID 87039151
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 95266877
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide
CID 55836456
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 86988645
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 96508404
(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 95266842
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-cyclohexyl-2,5-dimethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 55970820

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea (CID 60591547) is 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea is O=C(Nc1ccc(Cn2cccn2)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is FNBFROVXELLOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(19-15-5-2-1-3-6-15)20-16-9-7-14(8-10-16)13-21-12-4-11-18-21/h4,7-12,15H,1-3,5-6,13H2,(H2,19,20,22).
What are the key properties of 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 60591547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).