1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide

C13H22N4O — CID 114218950

IUPAC1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC(C)N2)nn1C
InChIInChI=1S/C13H22N4O/c1-9-5-4-6-11(15-9)8-14-13(18)12-7-10(2)17(3)16-12/h7,9,11,15H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyGDONQMKEUQCCSD-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.99
Rot. Bonds3

About 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 114218950) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID114218950
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC(C)N2)nn1C
InChIInChI=1S/C13H22N4O/c1-9-5-4-6-11(15-9)8-14-13(18)12-7-10(2)17(3)16-12/h7,9,11,15H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyGDONQMKEUQCCSD-UHFFFAOYSA-N
XLogP0.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide (CID 114218950) is 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCCC(C)N2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is GDONQMKEUQCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-5-4-6-11(15-9)8-14-13(18)12-7-10(2)17(3)16-12/h7,9,11,15H,4-6,8H2,1-3H3,(H,14,18).
What are the key properties of 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 114218950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).