2,4-dichloro-5-pyrazol-1-ylbenzamide

C10H7Cl2N3O — CID 57422974

IUPAC2,4-dichloro-5-pyrazol-1-ylbenzamide
SMILESNC(=O)c1cc(-n2cccn2)c(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-7-5-8(12)9(4-6(7)10(13)16)15-3-1-2-14-15/h1-5H,(H2,13,16)
InChIKeyVQBZGBZBFKSNDN-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.28
Rot. Bonds2

About 2,4-dichloro-5-pyrazol-1-ylbenzamide

2,4-dichloro-5-pyrazol-1-ylbenzamide (PubChem CID 57422974) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2,4-dichloro-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-pyrazol-1-ylbenzamide
PubChem CID57422974
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name2,4-dichloro-5-pyrazol-1-ylbenzamide
SMILESNC(=O)c1cc(-n2cccn2)c(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-7-5-8(12)9(4-6(7)10(13)16)15-3-1-2-14-15/h1-5H,(H2,13,16)
InChIKeyVQBZGBZBFKSNDN-UHFFFAOYSA-N
XLogP2.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)-
CID 3007382
(2-Chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 46975329
(2-Chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975347
1-{1-[2-chloro-5-(1H-pyrazol-1-yl)benzoyl]piperidin-4-yl}pyrrolidin-2-one
CID 56873134
2-chloro-4,5-difluoro-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 2971124
2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide
CID 126801909
2-chloro-4-fluoro-5-(1H-pyrazol-1-yl)benzamide
CID 57422998
2-Chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine
CID 174353157
(2,6-dichlorophenyl)(1H-pyrazol-1-yl)methanone
CID 903789
Pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone
CID 122377366
2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
CID 132562202
2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 132992183

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2,4-dichloro-5-pyrazol-1-ylbenzamide (CID 57422974) is 2,4-dichloro-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2,4-dichloro-5-pyrazol-1-ylbenzamide is NC(=O)c1cc(-n2cccn2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-pyrazol-1-ylbenzamide?
The InChIKey is VQBZGBZBFKSNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-7-5-8(12)9(4-6(7)10(13)16)15-3-1-2-14-15/h1-5H,(H2,13,16).
What are the key properties of 2,4-dichloro-5-pyrazol-1-ylbenzamide?
2,4-dichloro-5-pyrazol-1-ylbenzamide has a molecular weight of 256.09 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 57422974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).