N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide

C17H22N4O — CID 119275721

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)C1CCCNC1
InChIInChI=1S/C17H22N4O/c1-12-16(19-17(22)14-7-6-10-18-11-14)13(2)21(20-12)15-8-4-3-5-9-15/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22)
InChIKeyOWRCXDPFWLQAND-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.43
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide (PubChem CID 119275721) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
PubChem CID119275721
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)C1CCCNC1
InChIInChI=1S/C17H22N4O/c1-12-16(19-17(22)14-7-6-10-18-11-14)13(2)21(20-12)15-8-4-3-5-9-15/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22)
InChIKeyOWRCXDPFWLQAND-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-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
(3R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81124224
N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride
CID 67446765
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643726
N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 65490081
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide
CID 119890509

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide (CID 119275721) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)C1CCCNC1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide?
The InChIKey is OWRCXDPFWLQAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-16(19-17(22)14-7-6-10-18-11-14)13(2)21(20-12)15-8-4-3-5-9-15/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)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-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119275721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).