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

C13H12N4O — CID 43187533

IUPACN-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1C#N)n1cccn1
InChIInChI=1S/C13H12N4O/c1-10(17-8-4-7-15-17)13(18)16-12-6-3-2-5-11(12)9-14/h2-8,10H,1H3,(H,16,18)
InChIKeyUNCFOCVVMXWQTD-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.95
Rot. Bonds3

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

N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 43187533) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
PubChem CID43187533
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1C#N)n1cccn1
InChIInChI=1S/C13H12N4O/c1-10(17-8-4-7-15-17)13(18)16-12-6-3-2-5-11(12)9-14/h2-8,10H,1H3,(H,16,18)
InChIKeyUNCFOCVVMXWQTD-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-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 104880147
N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534474
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
N-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzamide
CID 43055255
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide
CID 64690239
N-(2-ethoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 47177158
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide (CID 43187533) is N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccccc1C#N)n1cccn1.
What is the InChIKey of N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is UNCFOCVVMXWQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10(17-8-4-7-15-17)13(18)16-12-6-3-2-5-11(12)9-14/h2-8,10H,1H3,(H,16,18).
What are the key properties of N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide?
N-(2-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-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43187533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).