N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide

C13H12N4O — CID 43187532

IUPACN-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)n1cccn1
InChIInChI=1S/C13H12N4O/c1-10(17-8-2-7-15-17)13(18)16-12-5-3-11(9-14)4-6-12/h2-8,10H,1H3,(H,16,18)
InChIKeyBACATDLXAACUAF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.95
Rot. Bonds3

About N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide

N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 43187532) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
PubChem CID43187532
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)n1cccn1
InChIInChI=1S/C13H12N4O/c1-10(17-8-2-7-15-17)13(18)16-12-5-3-11(9-14)4-6-12/h2-8,10H,1H3,(H,16,18)
InChIKeyBACATDLXAACUAF-UHFFFAOYSA-N
XLogP1.95
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide
CID 134048457
2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211185
2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
CID 60529931
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide (CID 43187532) is N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccc(C#N)cc1)n1cccn1.
What is the InChIKey of N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is BACATDLXAACUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10(17-8-2-7-15-17)13(18)16-12-5-3-11(9-14)4-6-12/h2-8,10H,1H3,(H,16,18).
What are the key properties of N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide?
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 240.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43187532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).