1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea

C18H22N4O2 — CID 124504703

IUPAC1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
SMILESCC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1
InChIInChI=1S/C18H22N4O2/c1-13(23)14-6-4-7-15(12-14)20-18(24)21-16-8-2-3-9-17(16)22-11-5-10-19-22/h4-7,10-12,16-17H,2-3,8-9H2,1H3,(H2,20,21,24)/t16-,17-/m1/s1
InChIKeyCTKJGOPWGAZRCE-IAGOWNOFSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea

1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea (PubChem CID 124504703) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
PubChem CID124504703
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
SMILESCC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1
InChIInChI=1S/C18H22N4O2/c1-13(23)14-6-4-7-15(12-14)20-18(24)21-16-8-2-3-9-17(16)22-11-5-10-19-22/h4-7,10-12,16-17H,2-3,8-9H2,1H3,(H2,20,21,24)/t16-,17-/m1/s1
InChIKeyCTKJGOPWGAZRCE-IAGOWNOFSA-N
XLogP3.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]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

3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea
CID 154854688
1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
CID 154845601
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525273
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525270
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(3-pyrazol-1-ylphenyl)urea
CID 47042960
1-(3-acetylphenyl)-3-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
CID 11465468
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 71941783
1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
CID 79357454
1-[(1R,2R)-2-methylsulfanylcyclohexyl]-3-[3-[(S)-methylsulfinyl]phenyl]urea
CID 97215586

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea (CID 124504703) is 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea is CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea?
The InChIKey is CTKJGOPWGAZRCE-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(23)14-6-4-7-15(12-14)20-18(24)21-16-8-2-3-9-17(16)22-11-5-10-19-22/h4-7,10-12,16-17H,2-3,8-9H2,1H3,(H2,20,21,24)/t16-,17-/m1/s1.
What are the key properties of 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea?
1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea is sourced from PubChem (CID 124504703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).