3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

C16H22N6O2 — CID 136662642

IUPAC3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3c(C)n[nH]c3C)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-9-8-13(23)19-16(17-9)22-6-4-12(5-7-22)18-15(24)14-10(2)20-21-11(14)3/h8,12H,4-7H2,1-3H3,(H,18,24)(H,20,21)(H,17,19,23)
InChIKeyJQFSLWZLODIJKS-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.82
Rot. Bonds3

About 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 136662642) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID136662642
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3c(C)n[nH]c3C)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-9-8-13(23)19-16(17-9)22-6-4-12(5-7-22)18-15(24)14-10(2)20-21-11(14)3/h8,12H,4-7H2,1-3H3,(H,18,24)(H,20,21)(H,17,19,23)
InChIKeyJQFSLWZLODIJKS-UHFFFAOYSA-N
XLogP0.82
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 136662642) is 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3c(C)n[nH]c3C)CC2)n1.
What is the InChIKey of 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is JQFSLWZLODIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-9-8-13(23)19-16(17-9)22-6-4-12(5-7-22)18-15(24)14-10(2)20-21-11(14)3/h8,12H,4-7H2,1-3H3,(H,18,24)(H,20,21)(H,17,19,23).
What are the key properties of 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 136662642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).