1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide

C15H14N4O2 — CID 138006308

IUPAC1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESN#Cc1cccc(C2(C(=O)NCc3cc(=O)[nH][nH]3)CC2)c1
InChIInChI=1S/C15H14N4O2/c16-8-10-2-1-3-11(6-10)15(4-5-15)14(21)17-9-12-7-13(20)19-18-12/h1-3,6-7H,4-5,9H2,(H,17,21)(H2,18,19,20)
InChIKeyMRVZRUMFRXBEQL-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.92
Rot. Bonds4

About 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide

1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 138006308) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID138006308
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESN#Cc1cccc(C2(C(=O)NCc3cc(=O)[nH][nH]3)CC2)c1
InChIInChI=1S/C15H14N4O2/c16-8-10-2-1-3-11(6-10)15(4-5-15)14(21)17-9-12-7-13(20)19-18-12/h1-3,6-7H,4-5,9H2,(H,17,21)(H2,18,19,20)
InChIKeyMRVZRUMFRXBEQL-UHFFFAOYSA-N
XLogP0.92
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]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

1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 138047410
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
3-(3-cyanophenyl)piperidine-3-carboxylic acid
CID 117050284
1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide
CID 167789716
N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974506
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438164
1-(3-bromophenyl)-N-(3-phenylprop-2-ynyl)cyclopropane-1-carboxamide
CID 51113044
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 138006308) is 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide is N#Cc1cccc(C2(C(=O)NCc3cc(=O)[nH][nH]3)CC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is MRVZRUMFRXBEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-8-10-2-1-3-11(6-10)15(4-5-15)14(21)17-9-12-7-13(20)19-18-12/h1-3,6-7H,4-5,9H2,(H,17,21)(H2,18,19,20).
What are the key properties of 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138006308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).