N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide

C14H14N4O — CID 19534474

IUPACN-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C14H14N4O/c1-10-8-16-18(9-10)11(2)14(19)17-13-6-4-3-5-12(13)7-15/h3-6,8-9,11H,1-2H3,(H,17,19)
InChIKeyOSCCCRHTRGKMIA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.26
Rot. Bonds3

About N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide

N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide (PubChem CID 19534474) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
PubChem CID19534474
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C14H14N4O/c1-10-8-16-18(9-10)11(2)14(19)17-13-6-4-3-5-12(13)7-15/h3-6,8-9,11H,1-2H3,(H,17,19)
InChIKeyOSCCCRHTRGKMIA-UHFFFAOYSA-N
XLogP2.26
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534572
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19534326
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
CID 19584578
2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19534387
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
2-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzonitrile
CID 95613985
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
N-(2-cyanophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 16803812
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide (CID 19534474) is N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(C(C)C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is OSCCCRHTRGKMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-8-16-18(9-10)11(2)14(19)17-13-6-4-3-5-12(13)7-15/h3-6,8-9,11H,1-2H3,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide?
N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 254.29 g/mol, XLogP of 2.26, 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-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19534474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).