2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

C24H26ClN5O3 — CID 154055345

IUPAC2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESCCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3Cl)cc2O)cc1C1CCCC1
InChIInChI=1S/C24H26ClN5O3/c1-2-11-27-24(33)30-20(15-6-3-4-7-15)14-19(29-30)17-10-9-16(13-21(17)31)28-23(32)18-8-5-12-26-22(18)25/h5,8-10,12-15,31H,2-4,6-7,11H2,1H3,(H,27,33)(H,28,32)
InChIKeyCOJOYZQCUKCVMP-UHFFFAOYSA-N
MW467.96 g/mol
LogP5.18
Rot. Bonds6

About 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 154055345) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID154055345
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESCCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3Cl)cc2O)cc1C1CCCC1
InChIInChI=1S/C24H26ClN5O3/c1-2-11-27-24(33)30-20(15-6-3-4-7-15)14-19(29-30)17-10-9-16(13-21(17)31)28-23(32)18-8-5-12-26-22(18)25/h5,8-10,12-15,31H,2-4,6-7,11H2,1H3,(H,27,33)(H,28,32)
InChIKeyCOJOYZQCUKCVMP-UHFFFAOYSA-N
XLogP5.18
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055372
2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055358
2-chloro-N-[4-[5-cyclobutyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055351
N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055473
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide
CID 154054598
5-cyclopropyl-N-ethyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 136636114
5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056086
5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055654
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (CID 154055345) is 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is CCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3Cl)cc2O)cc1C1CCCC1.
What is the InChIKey of 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is COJOYZQCUKCVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-2-11-27-24(33)30-20(15-6-3-4-7-15)14-19(29-30)17-10-9-16(13-21(17)31)28-23(32)18-8-5-12-26-22(18)25/h5,8-10,12-15,31H,2-4,6-7,11H2,1H3,(H,27,33)(H,28,32).
What are the key properties of 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154055345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).