2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide

C12H11Cl2N3O — CID 2818782

IUPAC2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
SMILESCc1nn(C)c(NC(=O)c2ccccc2Cl)c1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-10(14)11(17(2)16-7)15-12(18)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,15,18)
InChIKeyRYZBTURGBZKRKT-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.29
Rot. Bonds2

About 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide

2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide (PubChem CID 2818782) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
PubChem CID2818782
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
SMILESCc1nn(C)c(NC(=O)c2ccccc2Cl)c1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-10(14)11(17(2)16-7)15-12(18)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,15,18)
InChIKeyRYZBTURGBZKRKT-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330983
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330985
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
Benzamide, N-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 2818761
2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 5121984
(4-Chloro-phenyl)-(3-methyl-5-phenylamino-pyrazol-1-yl)-methanone
CID 811890
N-(4-bromo-1,3-dimethylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 2818776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide (CID 2818782) is 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide is Cc1nn(C)c(NC(=O)c2ccccc2Cl)c1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide?
The InChIKey is RYZBTURGBZKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-10(14)11(17(2)16-7)15-12(18)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,15,18).
What are the key properties of 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide?
2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide has a molecular weight of 284.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide is sourced from PubChem (CID 2818782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).