2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide

C11H9Cl2N3O — CID 112691317

IUPAC2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-6-5-14-16-10(6)15-11(17)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyFCCNQLSKXNUZTH-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.28
Rot. Bonds2

About 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide

2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide (PubChem CID 112691317) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
PubChem CID112691317
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-6-5-14-16-10(6)15-11(17)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyFCCNQLSKXNUZTH-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115629952
1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 113238275
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
CID 115630356
3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 103990810
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 115629937
3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691373
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 104619425
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
2-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115629960
2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691255
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzamide
CID 112555309

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide (CID 112691317) is 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide is Cc1cn[nH]c1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is FCCNQLSKXNUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-6-5-14-16-10(6)15-11(17)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 270.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 112691317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).