(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

C13H12ClN3O — CID 175979811

IUPAC(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)[C@H]1CC1c1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O/c14-9-3-1-2-8(4-9)11-5-12(11)13(18)17-10-6-15-16-7-10/h1-4,6-7,11-12H,5H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
InChIKeyXDXQIKVNCJVRJD-KIYNQFGBSA-N
MW261.71 g/mol
LogP2.81
Rot. Bonds3

About (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 175979811) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID175979811
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)[C@H]1CC1c1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O/c14-9-3-1-2-8(4-9)11-5-12(11)13(18)17-10-6-15-16-7-10/h1-4,6-7,11-12H,5H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
InChIKeyXDXQIKVNCJVRJD-KIYNQFGBSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
CID 56783038
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 99777919
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 49159062
methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
CID 165134483
trans-(1S,2S)-2-(3-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxamide
CID 97011127
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 175979811) is (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is O=C(Nc1cn[nH]c1)[C@H]1CC1c1cccc(Cl)c1.
What is the InChIKey of (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is XDXQIKVNCJVRJD-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-9-3-1-2-8(4-9)11-5-12(11)13(18)17-10-6-15-16-7-10/h1-4,6-7,11-12H,5H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1.
What are the key properties of (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175979811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).