2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide

C18H16ClN3O — CID 90096262

IUPAC2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
SMILESCc1cccc(C)c1-n1ccc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O/c1-12-6-5-7-13(2)17(12)22-11-10-16(21-22)20-18(23)14-8-3-4-9-15(14)19/h3-11H,1-2H3,(H,20,21,23)
InChIKeyMFDYWNZEEMPRDL-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.39
Rot. Bonds3

About 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide

2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide (PubChem CID 90096262) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
PubChem CID90096262
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
SMILESCc1cccc(C)c1-n1ccc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O/c1-12-6-5-7-13(2)17(12)22-11-10-16(21-22)20-18(23)14-8-3-4-9-15(14)19/h3-11H,1-2H3,(H,20,21,23)
InChIKeyMFDYWNZEEMPRDL-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide
CID 59547949
N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide
CID 167902267
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide
CID 122380402
2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
methyl (2S)-3-[4-[(2,6-dichlorobenzoyl)amino]-2-oxopyrimidin-1-yl]-2-[(2-methylbenzoyl)amino]propanoate
CID 142041326
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide (CID 90096262) is 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide is Cc1cccc(C)c1-n1ccc(NC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is MFDYWNZEEMPRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-6-5-7-13(2)17(12)22-11-10-16(21-22)20-18(23)14-8-3-4-9-15(14)19/h3-11H,1-2H3,(H,20,21,23).
What are the key properties of 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide?
2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 325.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 90096262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).