2-chloro-3-pyrazol-1-ylbenzamide

C10H8ClN3O — CID 57422970

IUPAC2-chloro-3-pyrazol-1-ylbenzamide
SMILESNC(=O)c1cccc(-n2cccn2)c1Cl
InChIInChI=1S/C10H8ClN3O/c11-9-7(10(12)15)3-1-4-8(9)14-6-2-5-13-14/h1-6H,(H2,12,15)
InChIKeyXPYKIPHGIDSAQN-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.62
Rot. Bonds2

About 2-chloro-3-pyrazol-1-ylbenzamide

2-chloro-3-pyrazol-1-ylbenzamide (PubChem CID 57422970) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-chloro-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-3-pyrazol-1-ylbenzamide
PubChem CID57422970
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name2-chloro-3-pyrazol-1-ylbenzamide
SMILESNC(=O)c1cccc(-n2cccn2)c1Cl
InChIInChI=1S/C10H8ClN3O/c11-9-7(10(12)15)3-1-4-8(9)14-6-2-5-13-14/h1-6H,(H2,12,15)
InChIKeyXPYKIPHGIDSAQN-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-3-pyrazol-1-ylbenzamide (CID 57422970) is 2-chloro-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-3-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-3-pyrazol-1-ylbenzamide is NC(=O)c1cccc(-n2cccn2)c1Cl.
What is the InChIKey of 2-chloro-3-pyrazol-1-ylbenzamide?
The InChIKey is XPYKIPHGIDSAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-9-7(10(12)15)3-1-4-8(9)14-6-2-5-13-14/h1-6H,(H2,12,15).
What are the key properties of 2-chloro-3-pyrazol-1-ylbenzamide?
2-chloro-3-pyrazol-1-ylbenzamide has a molecular weight of 221.65 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 57422970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).