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

C22H22ClN5O3 — CID 154055372

IUPAC2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESCCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3Cl)cc2O)cc1C1CC1
InChIInChI=1S/C22H22ClN5O3/c1-2-9-25-22(31)28-18(13-5-6-13)12-17(27-28)15-8-7-14(11-19(15)29)26-21(30)16-4-3-10-24-20(16)23/h3-4,7-8,10-13,29H,2,5-6,9H2,1H3,(H,25,31)(H,26,30)
InChIKeyGSECAGDHYKIPEF-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.40
Rot. Bonds6

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

2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 154055372) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID154055372
Molecular FormulaC22H22ClN5O3
Molecular Weight439.90 g/mol
Exact Mass439.14
IUPAC Name2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESCCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3Cl)cc2O)cc1C1CC1
InChIInChI=1S/C22H22ClN5O3/c1-2-9-25-22(31)28-18(13-5-6-13)12-17(27-28)15-8-7-14(11-19(15)29)26-21(30)16-4-3-10-24-20(16)23/h3-4,7-8,10-13,29H,2,5-6,9H2,1H3,(H,25,31)(H,26,30)
InChIKeyGSECAGDHYKIPEF-UHFFFAOYSA-N
XLogP4.40
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.40
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-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055345
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-cyclopropyl-N-ethyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 136636114
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
5-cyclopentyl-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055240
N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055519
5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
CID 154054872
5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide
CID 154054598
3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide
CID 154054449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (CID 154055372) is 2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is CCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3Cl)cc2O)cc1C1CC1.
What is the InChIKey of 2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is GSECAGDHYKIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c1-2-9-25-22(31)28-18(13-5-6-13)12-17(27-28)15-8-7-14(11-19(15)29)26-21(30)16-4-3-10-24-20(16)23/h3-4,7-8,10-13,29H,2,5-6,9H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 439.90 g/mol, XLogP of 4.40, 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-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154055372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).