2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide

C12H11Cl2N3O — CID 45284555

IUPAC2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C)n1
InChIInChI=1S/C12H11Cl2N3O/c1-7-5-11(17(2)16-7)15-12(18)9-6-8(13)3-4-10(9)14/h3-6H,1-2H3,(H,15,18)
InChIKeyTVESMRQTSIKOJC-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.29
Rot. Bonds2

About 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide

2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 45284555) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID45284555
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C)n1
InChIInChI=1S/C12H11Cl2N3O/c1-7-5-11(17(2)16-7)15-12(18)9-6-8(13)3-4-10(9)14/h3-6H,1-2H3,(H,15,18)
InChIKeyTVESMRQTSIKOJC-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

2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
CID 46412300
2,5-dichloro-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135551527
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 74512880
4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 51116250
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
CID 52548004

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 45284555) is 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C)n1.
What is the InChIKey of 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is TVESMRQTSIKOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-5-11(17(2)16-7)15-12(18)9-6-8(13)3-4-10(9)14/h3-6H,1-2H3,(H,15,18).
What are the key properties of 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
2,5-dichloro-N-(2,5-dimethylpyrazol-3-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 2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 45284555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).