N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide

C21H15ClN4O — CID 44622677

IUPACN-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H15ClN4O/c22-17-4-6-18(7-5-17)25-21(27)16-3-1-2-15(12-16)20-19(13-24-26-20)14-8-10-23-11-9-14/h1-13H,(H,24,26)(H,25,27)
InChIKeySICSAKKTOFFGFL-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.04
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide

N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide (PubChem CID 44622677) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
PubChem CID44622677
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC NameN-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H15ClN4O/c22-17-4-6-18(7-5-17)25-21(27)16-3-1-2-15(12-16)20-19(13-24-26-20)14-8-10-23-11-9-14/h1-13H,(H,24,26)(H,25,27)
InChIKeySICSAKKTOFFGFL-UHFFFAOYSA-N
XLogP5.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide (CID 44622677) is N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide is O=C(Nc1ccc(Cl)cc1)c1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The InChIKey is SICSAKKTOFFGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-17-4-6-18(7-5-17)25-21(27)16-3-1-2-15(12-16)20-19(13-24-26-20)14-8-10-23-11-9-14/h1-13H,(H,24,26)(H,25,27).
What are the key properties of N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide has a molecular weight of 374.83 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 44622677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).