N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide

C17H22N4O — CID 118524339

IUPACN-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C17H22N4O/c22-17(20-11-5-2-6-12-20)18-10-14-21-13-9-16(19-21)15-7-3-1-4-8-15/h1,3-4,7-9,13H,2,5-6,10-12,14H2,(H,18,22)
InChIKeyAFASFUQUANGQKI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide

N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 118524339) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID118524339
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C17H22N4O/c22-17(20-11-5-2-6-12-20)18-10-14-21-13-9-16(19-21)15-7-3-1-4-8-15/h1,3-4,7-9,13H,2,5-6,10-12,14H2,(H,18,22)
InChIKeyAFASFUQUANGQKI-UHFFFAOYSA-N
XLogP2.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
1-Cycloheptyl-1-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10646964
1-Cycloheptyl-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10718170
1-Cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 11797565
N-cyano-N'-(2-methylphenyl)-4-[2-(3-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455378
N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455380
(3,4-dihydroquinolin-1(2H)-yl)(4-(1-methyl-1H-pyrazol-4-yl)piperidin-1-yl)methanone
CID 54580341
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide (CID 118524339) is N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide is O=C(NCCn1ccc(-c2ccccc2)n1)N1CCCCC1.
What is the InChIKey of N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is AFASFUQUANGQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(20-11-5-2-6-12-20)18-10-14-21-13-9-16(19-21)15-7-3-1-4-8-15/h1,3-4,7-9,13H,2,5-6,10-12,14H2,(H,18,22).
What are the key properties of N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide?
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 118524339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).