1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C16H22N6O — CID 95829334

IUPAC1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(Cn3cc(C(N)=O)cn3)CC2)n1
InChIInChI=1S/C16H22N6O/c1-11-7-12(2)20-16(19-11)21-5-3-13(4-6-21)9-22-10-14(8-18-22)15(17)23/h7-8,10,13H,3-6,9H2,1-2H3,(H2,17,23)
InChIKeyOSAAQFIYGJFORC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.31
Rot. Bonds4

About 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 95829334) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID95829334
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(Cn3cc(C(N)=O)cn3)CC2)n1
InChIInChI=1S/C16H22N6O/c1-11-7-12(2)20-16(19-11)21-5-3-13(4-6-21)9-22-10-14(8-18-22)15(17)23/h7-8,10,13H,3-6,9H2,1-2H3,(H2,17,23)
InChIKeyOSAAQFIYGJFORC-UHFFFAOYSA-N
XLogP1.31
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 95829334) is 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is Cc1cc(C)nc(N2CCC(Cn3cc(C(N)=O)cn3)CC2)n1.
What is the InChIKey of 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is OSAAQFIYGJFORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-7-12(2)20-16(19-11)21-5-3-13(4-6-21)9-22-10-14(8-18-22)15(17)23/h7-8,10,13H,3-6,9H2,1-2H3,(H2,17,23).
What are the key properties of 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95829334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).