N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide

C24H19ClN4O2 — CID 170346144

IUPACN-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide
SMILESCn1nc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H19ClN4O2/c1-29-22(27-23(30)17-7-3-2-4-8-17)15-21(28-29)16-11-13-18(14-12-16)26-24(31)19-9-5-6-10-20(19)25/h2-15H,1H3,(H,26,31)(H,27,30)
InChIKeyJRXJDHZUEUXAEG-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.25
Rot. Bonds5

About N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide

N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide (PubChem CID 170346144) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide
PubChem CID170346144
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC NameN-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide
SMILESCn1nc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H19ClN4O2/c1-29-22(27-23(30)17-7-3-2-4-8-17)15-21(28-29)16-11-13-18(14-12-16)26-24(31)19-9-5-6-10-20(19)25/h2-15H,1H3,(H,26,31)(H,27,30)
InChIKeyJRXJDHZUEUXAEG-UHFFFAOYSA-N
XLogP5.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 11214480
2-(4-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983718
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
3-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 11234162
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11462332

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide (CID 170346144) is N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide is Cn1nc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide?
The InChIKey is JRXJDHZUEUXAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-29-22(27-23(30)17-7-3-2-4-8-17)15-21(28-29)16-11-13-18(14-12-16)26-24(31)19-9-5-6-10-20(19)25/h2-15H,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide?
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide has a molecular weight of 430.90 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 170346144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).