4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C17H18ClN3O3 — CID 119229443

IUPAC4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H18ClN3O3/c18-12-2-1-3-14(10-12)21-9-8-15(20-21)16(22)19-13-6-4-11(5-7-13)17(23)24/h1-3,8-11,13H,4-7H2,(H,19,22)(H,23,24)
InChIKeyOFHAMBVYVPGIPR-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.90
Rot. Bonds4

About 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229443) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229443
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H18ClN3O3/c18-12-2-1-3-14(10-12)21-9-8-15(20-21)16(22)19-13-6-4-11(5-7-13)17(23)24/h1-3,8-11,13H,4-7H2,(H,19,22)(H,23,24)
InChIKeyOFHAMBVYVPGIPR-UHFFFAOYSA-N
XLogP2.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide
CID 55924269
4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 75429283
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119390442
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524577
1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 119387434
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549037
4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 119229443) is 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OFHAMBVYVPGIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-12-2-1-3-14(10-12)21-9-8-15(20-21)16(22)19-13-6-4-11(5-7-13)17(23)24/h1-3,8-11,13H,4-7H2,(H,19,22)(H,23,24).
What are the key properties of 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 347.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).