3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide

C21H15ClN4O — CID 134799352

IUPAC3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccncc2)nn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C21H15ClN4O/c22-17-6-4-5-16(13-17)21(27)24-20-14-19(15-9-11-23-12-10-15)25-26(20)18-7-2-1-3-8-18/h1-14H,(H,24,27)
InChIKeyDKESEHGZTNIUGB-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.84
Rot. Bonds4

About 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide

3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide (PubChem CID 134799352) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
PubChem CID134799352
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccncc2)nn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C21H15ClN4O/c22-17-6-4-5-16(13-17)21(27)24-20-14-19(15-9-11-23-12-10-15)25-26(20)18-7-2-1-3-8-18/h1-14H,(H,24,27)
InChIKeyDKESEHGZTNIUGB-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

3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
CID 134797164
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
3-methoxy-N-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide
CID 134798353
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11473880
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide
CID 50802676

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide (CID 134799352) is 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide is O=C(Nc1cc(-c2ccncc2)nn1-c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide?
The InChIKey is DKESEHGZTNIUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-17-6-4-5-16(13-17)21(27)24-20-14-19(15-9-11-23-12-10-15)25-26(20)18-7-2-1-3-8-18/h1-14H,(H,24,27).
What are the key properties of 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide?
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide 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 3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide is sourced from PubChem (CID 134799352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).