3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide

C13H12ClN3O — CID 5330979

IUPAC3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O/c14-10-3-1-2-9(6-10)13(18)15-12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18)
InChIKeyVZQVEDSPJWSGNE-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.19
Rot. Bonds3

About 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide

3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330979) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330979
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O/c14-10-3-1-2-9(6-10)13(18)15-12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18)
InChIKeyVZQVEDSPJWSGNE-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (CID 5330979) is 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is VZQVEDSPJWSGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-3-1-2-9(6-10)13(18)15-12-7-11(16-17-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,15,16,17,18).
What are the key properties of 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 261.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).