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

C13H12ClN3O — CID 5330974

IUPAC4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-10-5-3-9(4-6-10)13(18)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17,18)
InChIKeyCXQJGJMKSNFPQC-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.19
Rot. Bonds3

About 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide

4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330974) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330974
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-10-5-3-9(4-6-10)13(18)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17,18)
InChIKeyCXQJGJMKSNFPQC-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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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
4-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330973
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330978
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330979
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330983
3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330986
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (CID 5330974) is 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is CXQJGJMKSNFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-5-3-9(4-6-10)13(18)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17,18).
What are the key properties of 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
4-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 4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).