2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C13H13Cl2N3O — CID 47404950

IUPAC2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cc(Cl)ccc2Cl)n[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-7(2)11-6-12(18-17-11)16-13(19)9-5-8(14)3-4-10(9)15/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyCVXXBQTUOKDDIN-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.09
Rot. Bonds3

About 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 47404950) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID47404950
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cc(Cl)ccc2Cl)n[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-7(2)11-6-12(18-17-11)16-13(19)9-5-8(14)3-4-10(9)15/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyCVXXBQTUOKDDIN-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320
1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 104620466
2-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47935004
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610359
3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115776624
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593045
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 47404950) is 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CC(C)c1cc(NC(=O)c2cc(Cl)ccc2Cl)n[nH]1.
What is the InChIKey of 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is CVXXBQTUOKDDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-7(2)11-6-12(18-17-11)16-13(19)9-5-8(14)3-4-10(9)15/h3-7H,1-2H3,(H2,16,17,18,19).
What are the key properties of 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 298.17 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 47404950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).