N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C25H22ClN5O3 — CID 55877892

IUPACN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1Cl
InChIInChI=1S/C25H22ClN5O3/c1-34-13-12-28-24(32)20-10-9-18(14-22(20)26)29-25(33)21-16-31(19-7-3-2-4-8-19)30-23(21)17-6-5-11-27-15-17/h2-11,14-16H,12-13H2,1H3,(H,28,32)(H,29,33)
InChIKeyPGKLNFKQJJCQPL-UHFFFAOYSA-N
MW475.94 g/mol
LogP4.22
Rot. Bonds8

About N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 55877892) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID55877892
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1Cl
InChIInChI=1S/C25H22ClN5O3/c1-34-13-12-28-24(32)20-10-9-18(14-22(20)26)29-25(33)21-16-31(19-7-3-2-4-8-19)30-23(21)17-6-5-11-27-15-17/h2-11,14-16H,12-13H2,1H3,(H,28,32)(H,29,33)
InChIKeyPGKLNFKQJJCQPL-UHFFFAOYSA-N
XLogP4.22
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55906395
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55901579
1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 55804567
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 29432402
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640
ethyl (E)-3-[4-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]phenyl]prop-2-enoate
CID 46649884
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 55877892) is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is COCCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is PGKLNFKQJJCQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-34-13-12-28-24(32)20-10-9-18(14-22(20)26)29-25(33)21-16-31(19-7-3-2-4-8-19)30-23(21)17-6-5-11-27-15-17/h2-11,14-16H,12-13H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55877892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).