N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide

C13H12ClN3O — CID 47251954

IUPACN-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)C1CC1
InChIInChI=1S/C13H12ClN3O/c14-10-3-1-4-11(16-13(18)9-5-6-9)12(10)17-8-2-7-15-17/h1-4,7-9H,5-6H2,(H,16,18)
InChIKeyZNUCQCZKWFTFMU-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.87
Rot. Bonds3

About N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide

N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide (PubChem CID 47251954) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
PubChem CID47251954
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)C1CC1
InChIInChI=1S/C13H12ClN3O/c14-10-3-1-4-11(16-13(18)9-5-6-9)12(10)17-8-2-7-15-17/h1-4,7-9H,5-6H2,(H,16,18)
InChIKeyZNUCQCZKWFTFMU-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide (CID 47251954) is N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide is O=C(Nc1cccc(Cl)c1-n1cccn1)C1CC1.
What is the InChIKey of N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide?
The InChIKey is ZNUCQCZKWFTFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-3-1-4-11(16-13(18)9-5-6-9)12(10)17-8-2-7-15-17/h1-4,7-9H,5-6H2,(H,16,18).
What are the key properties of N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide?
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 47251954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).