2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide

C15H15ClN4O2 — CID 56783038

IUPAC2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
SMILESO=C(CNC(=O)C1CC1c1ccc(Cl)cc1)Nc1cn[nH]c1
InChIInChI=1S/C15H15ClN4O2/c16-10-3-1-9(2-4-10)12-5-13(12)15(22)17-8-14(21)20-11-6-18-19-7-11/h1-4,6-7,12-13H,5,8H2,(H,17,22)(H,18,19)(H,20,21)
InChIKeyOEGHRDFXEBYCJQ-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.92
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 56783038) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID56783038
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
SMILESO=C(CNC(=O)C1CC1c1ccc(Cl)cc1)Nc1cn[nH]c1
InChIInChI=1S/C15H15ClN4O2/c16-10-3-1-9(2-4-10)12-5-13(12)15(22)17-8-14(21)20-11-6-18-19-7-11/h1-4,6-7,12-13H,5,8H2,(H,17,22)(H,18,19)(H,20,21)
InChIKeyOEGHRDFXEBYCJQ-UHFFFAOYSA-N
XLogP1.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide
CID 94391607
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 110625443
trans-(1R,2R)-2-(4-chlorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
CID 95299100
3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43430717
trans-(1S,2S)-2-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 95760745
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188
7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide
CID 71859391
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19330296
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19401715
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide (CID 56783038) is 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide is O=C(CNC(=O)C1CC1c1ccc(Cl)cc1)Nc1cn[nH]c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is OEGHRDFXEBYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-10-3-1-9(2-4-10)12-5-13(12)15(22)17-8-14(21)20-11-6-18-19-7-11/h1-4,6-7,12-13H,5,8H2,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56783038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).