N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide

C17H22N4O — CID 119286230

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)C2CCCNC2)n1
InChIInChI=1S/C17H22N4O/c1-12-10-13(2)21(20-12)16-8-4-3-7-15(16)19-17(22)14-6-5-9-18-11-14/h3-4,7-8,10,14,18H,5-6,9,11H2,1-2H3,(H,19,22)
InChIKeyVGIFIVLEPAHRGL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.43
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 119286230) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID119286230
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)C2CCCNC2)n1
InChIInChI=1S/C17H22N4O/c1-12-10-13(2)21(20-12)16-8-4-3-7-15(16)19-17(22)14-6-5-9-18-11-14/h3-4,7-8,10,14,18H,5-6,9,11H2,1-2H3,(H,19,22)
InChIKeyVGIFIVLEPAHRGL-UHFFFAOYSA-N
XLogP2.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576
N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119346019
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 119286230) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide is Cc1cc(C)n(-c2ccccc2NC(=O)C2CCCNC2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is VGIFIVLEPAHRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-10-13(2)21(20-12)16-8-4-3-7-15(16)19-17(22)14-6-5-9-18-11-14/h3-4,7-8,10,14,18H,5-6,9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119286230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).