1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide

C16H18ClN3O2 — CID 110899894

IUPAC1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClN3O2/c17-12-2-1-3-14(8-12)20-10-11(9-18-20)16(22)19-13-4-6-15(21)7-5-13/h1-3,8-10,13,15,21H,4-7H2,(H,19,22)
InChIKeySDLKBBRQJVYABJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.56
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide (PubChem CID 110899894) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
PubChem CID110899894
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClN3O2/c17-12-2-1-3-14(8-12)20-10-11(9-18-20)16(22)19-13-4-6-15(21)7-5-13/h1-3,8-10,13,15,21H,4-7H2,(H,19,22)
InChIKeySDLKBBRQJVYABJ-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
CID 146124166
N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide
CID 119475387
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111661678
1-(3-chlorophenyl)-N-(1-oxaspiro[4.4]nonan-4-yl)pyrazole-4-carboxamide
CID 136567789
N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076294
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
methyl 1-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55876839
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668
1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
CID 55974960
1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 75361341

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide (CID 110899894) is 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide is O=C(NC1CCC(O)CC1)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide?
The InChIKey is SDLKBBRQJVYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-12-2-1-3-14(8-12)20-10-11(9-18-20)16(22)19-13-4-6-15(21)7-5-13/h1-3,8-10,13,15,21H,4-7H2,(H,19,22).
What are the key properties of 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 110899894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).