1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide

C11H18N4O — CID 63326138

IUPAC1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCC1CCNCC1NC(=O)c1cnn(C)c1
InChIInChI=1S/C11H18N4O/c1-8-3-4-12-6-10(8)14-11(16)9-5-13-15(2)7-9/h5,7-8,10,12H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyPBGFSKLJXKBFPU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.15
Rot. Bonds2

About 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide

1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 63326138) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID63326138
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCC1CCNCC1NC(=O)c1cnn(C)c1
InChIInChI=1S/C11H18N4O/c1-8-3-4-12-6-10(8)14-11(16)9-5-13-15(2)7-9/h5,7-8,10,12H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyPBGFSKLJXKBFPU-UHFFFAOYSA-N
XLogP0.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide (CID 63326138) is 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide is CC1CCNCC1NC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is PBGFSKLJXKBFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-3-4-12-6-10(8)14-11(16)9-5-13-15(2)7-9/h5,7-8,10,12H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide?
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 63326138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).