N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide

C21H15ClN4O — CID 166184461

IUPACN-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C21H15ClN4O/c22-16-5-4-6-17(13-16)24-21(27)19-14-26(18-7-2-1-3-8-18)25-20(19)15-9-11-23-12-10-15/h1-14H,(H,24,27)
InChIKeyYKPKGLBVASTDGD-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.84
Rot. Bonds4

About N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide

N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 166184461) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID166184461
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC NameN-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C21H15ClN4O/c22-16-5-4-6-17(13-16)24-21(27)19-14-26(18-7-2-1-3-8-18)25-20(19)15-9-11-23-12-10-15/h1-14H,(H,24,27)
InChIKeyYKPKGLBVASTDGD-UHFFFAOYSA-N
XLogP4.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
4-[[3-(3-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287582
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281414
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide
CID 143451913
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide (CID 166184461) is N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is YKPKGLBVASTDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-16-5-4-6-17(13-16)24-21(27)19-14-26(18-7-2-1-3-8-18)25-20(19)15-9-11-23-12-10-15/h1-14H,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 166184461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).