1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid

C17H19N3O3 — CID 119206628

IUPAC1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccccc2NC(=O)C2CCCCC2)n1
InChIInChI=1S/C17H19N3O3/c21-16(12-6-2-1-3-7-12)18-13-8-4-5-9-15(13)20-11-10-14(19-20)17(22)23/h4-5,8-12H,1-3,6-7H2,(H,18,21)(H,22,23)
InChIKeyTVLUIUVFUXDUGL-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.09
Rot. Bonds4

About 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid

1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid (PubChem CID 119206628) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid
PubChem CID119206628
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccccc2NC(=O)C2CCCCC2)n1
InChIInChI=1S/C17H19N3O3/c21-16(12-6-2-1-3-7-12)18-13-8-4-5-9-15(13)20-11-10-14(19-20)17(22)23/h4-5,8-12H,1-3,6-7H2,(H,18,21)(H,22,23)
InChIKeyTVLUIUVFUXDUGL-UHFFFAOYSA-N
XLogP3.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119206700
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CID 12911535
1-[2-(butanoylamino)phenyl]pyrazole-3-carboxylic acid
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N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
1-[2-[(2-butoxyacetyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 119206655
1-[2-(hexanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206620
ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779889
1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206710
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid (CID 119206628) is 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2ccccc2NC(=O)C2CCCCC2)n1.
What is the InChIKey of 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid?
The InChIKey is TVLUIUVFUXDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(12-6-2-1-3-7-12)18-13-8-4-5-9-15(13)20-11-10-14(19-20)17(22)23/h4-5,8-12H,1-3,6-7H2,(H,18,21)(H,22,23).
What are the key properties of 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid?
1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 119206628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).