2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

C16H22N6O — CID 172899580

IUPAC2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1ccnc(N2CCC(NC(=O)c3cc(C)nn3C)CC2)n1
InChIInChI=1S/C16H22N6O/c1-11-4-7-17-16(18-11)22-8-5-13(6-9-22)19-15(23)14-10-12(2)20-21(14)3/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,19,23)
InChIKeyKHUHOAURSLLEAR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.23
Rot. Bonds3

About 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172899580) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172899580
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1ccnc(N2CCC(NC(=O)c3cc(C)nn3C)CC2)n1
InChIInChI=1S/C16H22N6O/c1-11-4-7-17-16(18-11)22-8-5-13(6-9-22)19-15(23)14-10-12(2)20-21(14)3/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,19,23)
InChIKeyKHUHOAURSLLEAR-UHFFFAOYSA-N
XLogP1.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172899553
2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172901974
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 129489968
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172902834
2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
CID 175650745
6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338208
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172903919
N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338296
5-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075099

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (CID 172899580) is 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is Cc1ccnc(N2CCC(NC(=O)c3cc(C)nn3C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is KHUHOAURSLLEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-4-7-17-16(18-11)22-8-5-13(6-9-22)19-15(23)14-10-12(2)20-21(14)3/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,19,23).
What are the key properties of 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172899580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).