1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide

C11H18N4O — CID 28742812

IUPAC1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCNCC2)cn1
InChIInChI=1S/C11H18N4O/c1-15-8-10(7-14-15)11(16)13-6-9-2-4-12-5-3-9/h7-9,12H,2-6H2,1H3,(H,13,16)
InChIKeyDDYKDAWXYOWGKF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.15
Rot. Bonds3

About 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide

1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 28742812) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID28742812
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCNCC2)cn1
InChIInChI=1S/C11H18N4O/c1-15-8-10(7-14-15)11(16)13-6-9-2-4-12-5-3-9/h7-9,12H,2-6H2,1H3,(H,13,16)
InChIKeyDDYKDAWXYOWGKF-UHFFFAOYSA-N
XLogP0.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide (CID 28742812) is 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCNCC2)cn1.
What is the InChIKey of 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is DDYKDAWXYOWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-8-10(7-14-15)11(16)13-6-9-2-4-12-5-3-9/h7-9,12H,2-6H2,1H3,(H,13,16).
What are the key properties of 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 28742812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).