1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea

C18H23ClN4O2 — CID 127952794

IUPAC1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
SMILESCn1ccc(C(NC(=O)N[C@H]2CCCC[C@@H]2O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O2/c1-23-11-10-15(22-23)17(12-6-8-13(19)9-7-12)21-18(25)20-14-4-2-3-5-16(14)24/h6-11,14,16-17,24H,2-5H2,1H3,(H2,20,21,25)/t14-,16-,17?/m0/s1
InChIKeyQMBDMWWMBAZBRP-CCWDIYBNSA-N
MW362.86 g/mol
LogP2.77
Rot. Bonds4

About 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea

1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea (PubChem CID 127952794) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
PubChem CID127952794
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
SMILESCn1ccc(C(NC(=O)N[C@H]2CCCC[C@@H]2O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O2/c1-23-11-10-15(22-23)17(12-6-8-13(19)9-7-12)21-18(25)20-14-4-2-3-5-16(14)24/h6-11,14,16-17,24H,2-5H2,1H3,(H2,20,21,25)/t14-,16-,17?/m0/s1
InChIKeyQMBDMWWMBAZBRP-CCWDIYBNSA-N
XLogP2.77
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]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-[[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122010020
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557
1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 124865728
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447
1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 110933256
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
CID 81352634
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
3-(4-chlorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 104927683

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea (CID 127952794) is 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea is Cn1ccc(C(NC(=O)N[C@H]2CCCC[C@@H]2O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea?
The InChIKey is QMBDMWWMBAZBRP-CCWDIYBNSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-23-11-10-15(22-23)17(12-6-8-13(19)9-7-12)21-18(25)20-14-4-2-3-5-16(14)24/h6-11,14,16-17,24H,2-5H2,1H3,(H2,20,21,25)/t14-,16-,17?/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea?
1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea has a molecular weight of 362.86 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea is sourced from PubChem (CID 127952794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).