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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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).