1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide

C12H20N4O — CID 103805401

IUPAC1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC1CCNCC1
InChIInChI=1S/C12H20N4O/c1-9-11(8-16(2)15-9)12(17)14-7-10-3-5-13-6-4-10/h8,10,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyCVFYRLMAJVIJEH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.46
Rot. Bonds3

About 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide

1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 103805401) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID103805401
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC1CCNCC1
InChIInChI=1S/C12H20N4O/c1-9-11(8-16(2)15-9)12(17)14-7-10-3-5-13-6-4-10/h8,10,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyCVFYRLMAJVIJEH-UHFFFAOYSA-N
XLogP0.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
N-cyclopropyl-1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 102802042
4-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79808514
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
N-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 131945640
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125125
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 65461649
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide (CID 103805401) is 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCC1CCNCC1.
What is the InChIKey of 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is CVFYRLMAJVIJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(8-16(2)15-9)12(17)14-7-10-3-5-13-6-4-10/h8,10,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 103805401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).