1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide

C20H14ClN5O — CID 11632212

IUPAC1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(-c2ccncc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H14ClN5O/c21-15-2-1-3-17(12-15)26-19(14-4-8-22-9-5-14)13-18(25-26)20(27)24-16-6-10-23-11-7-16/h1-13H,(H,23,24,27)
InChIKeyMZPPYCXHHZYTFL-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.24
Rot. Bonds4

About 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide

1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide (PubChem CID 11632212) has the molecular formula C20H14ClN5O and a molecular weight of 375.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide
PubChem CID11632212
Molecular FormulaC20H14ClN5O
Molecular Weight375.82 g/mol
Exact Mass375.09
IUPAC Name1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(-c2ccncc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H14ClN5O/c21-15-2-1-3-17(12-15)26-19(14-4-8-22-9-5-14)13-18(25-26)20(27)24-16-6-10-23-11-7-16/h1-13H,(H,23,24,27)
InChIKeyMZPPYCXHHZYTFL-UHFFFAOYSA-N
XLogP4.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53067889
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53067847
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55991120
methyl 1-(3-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazole-3-carboxylate
CID 1477228
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
1-(3-chlorophenyl)-5-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 58277418
1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 53006265

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide (CID 11632212) is 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide is O=C(Nc1ccncc1)c1cc(-c2ccncc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is MZPPYCXHHZYTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O/c21-15-2-1-3-17(12-15)26-19(14-4-8-22-9-5-14)13-18(25-26)20(27)24-16-6-10-23-11-7-16/h1-13H,(H,23,24,27).
What are the key properties of 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide?
1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11632212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).