1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C19H23N5O — CID 51098381

IUPAC1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(Cc3ccccc3C#N)CC2)cn1
InChIInChI=1S/C19H23N5O/c1-2-24-14-18(12-21-24)22-19(25)15-7-9-23(10-8-15)13-17-6-4-3-5-16(17)11-20/h3-6,12,14-15H,2,7-10,13H2,1H3,(H,22,25)
InChIKeySVIGEZSFKUVSGX-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.63
Rot. Bonds5

About 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 51098381) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID51098381
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(Cc3ccccc3C#N)CC2)cn1
InChIInChI=1S/C19H23N5O/c1-2-24-14-18(12-21-24)22-19(25)15-7-9-23(10-8-15)13-17-6-4-3-5-16(17)11-20/h3-6,12,14-15H,2,7-10,13H2,1H3,(H,22,25)
InChIKeySVIGEZSFKUVSGX-UHFFFAOYSA-N
XLogP2.63
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide
CID 53361476
2-(1-Heptylpyrazol-3-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 89599416
2-(4-cyanopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 146513813
2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16189798
N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 24790617
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(3'-fluoro-3-biphenylyl)-4-piperidinecarboxamide
CID 24794062
N-ethyl-2-(3-keto-1-phenethyl-piperazin-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 24794239
N-(3,4-dimethylphenyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24819255
N-(4-isopropylphenyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 45176595
N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529485
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2-phenylcyclopropanecarboxamide
CID 5226283

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 51098381) is 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(Cc3ccccc3C#N)CC2)cn1.
What is the InChIKey of 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is SVIGEZSFKUVSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-24-14-18(12-21-24)22-19(25)15-7-9-23(10-8-15)13-17-6-4-3-5-16(17)11-20/h3-6,12,14-15H,2,7-10,13H2,1H3,(H,22,25).
What are the key properties of 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51098381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).