cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

C13H12ClN3O — CID 95760685

IUPACcis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)[C@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-9-3-1-8(2-4-9)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
InChIKeyGJTVZFZNOYAUOB-RYUDHWBXSA-N
MW261.71 g/mol
LogP2.81
Rot. Bonds3

About cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 95760685) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID95760685
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Namecis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)[C@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-9-3-1-8(2-4-9)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
InChIKeyGJTVZFZNOYAUOB-RYUDHWBXSA-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

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Related Compounds

2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
CID 56783038
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 95979513
cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
CID 40650433
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19395537
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19401715

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 95760685) is cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is O=C(Nc1cn[nH]c1)[C@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is GJTVZFZNOYAUOB-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-9-3-1-8(2-4-9)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 cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(4-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 cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95760685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).