2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide

C13H22N4O — CID 114700062

IUPAC2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCNCC2C)n(C)n1
InChIInChI=1S/C13H22N4O/c1-9-7-14-5-4-11(9)8-15-13(18)12-6-10(2)16-17(12)3/h6,9,11,14H,4-5,7-8H2,1-3H3,(H,15,18)
InChIKeyMMPBNUDVINQMKN-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.70
Rot. Bonds3

About 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 114700062) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID114700062
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCNCC2C)n(C)n1
InChIInChI=1S/C13H22N4O/c1-9-7-14-5-4-11(9)8-15-13(18)12-6-10(2)16-17(12)3/h6,9,11,14H,4-5,7-8H2,1-3H3,(H,15,18)
InChIKeyMMPBNUDVINQMKN-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide (CID 114700062) is 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCNCC2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is MMPBNUDVINQMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-7-14-5-4-11(9)8-15-13(18)12-6-10(2)16-17(12)3/h6,9,11,14H,4-5,7-8H2,1-3H3,(H,15,18).
What are the key properties of 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 114700062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).