5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide

C16H18ClN3O2 — CID 155953824

IUPAC5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c17-11-7-5-10(6-8-11)15-12(9-18-20-15)16(22)19-13-3-1-2-4-14(13)21/h5-9,13-14,21H,1-4H2,(H,18,20)(H,19,22)/t13-,14+/m0/s1
InChIKeyFNWKOWYPDFQPNR-UONOGXRCSA-N
MW319.79 g/mol
LogP2.76
Rot. Bonds3

About 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 155953824) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID155953824
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c17-11-7-5-10(6-8-11)15-12(9-18-20-15)16(22)19-13-3-1-2-4-14(13)21/h5-9,13-14,21H,1-4H2,(H,18,20)(H,19,22)/t13-,14+/m0/s1
InChIKeyFNWKOWYPDFQPNR-UONOGXRCSA-N
XLogP2.76
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
CID 113394881
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278
5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 11385186
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 17409577
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide (CID 155953824) is 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide is O=C(N[C@H]1CCCC[C@H]1O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FNWKOWYPDFQPNR-UONOGXRCSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-11-7-5-10(6-8-11)15-12(9-18-20-15)16(22)19-13-3-1-2-4-14(13)21/h5-9,13-14,21H,1-4H2,(H,18,20)(H,19,22)/t13-,14+/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155953824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).