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

C12H21ClN4O — CID 119460247

IUPAC1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-9-11(8-16(2)15-9)12(17)14-7-10-4-3-5-13-6-10;/h8,10,13H,3-7H2,1-2H3,(H,14,17);1H
InChIKeyHFROWNVRNFTKBG-UHFFFAOYSA-N
MW272.78 g/mol
LogP0.88
Rot. Bonds3

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

1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119460247) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119460247
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-9-11(8-16(2)15-9)12(17)14-7-10-4-3-5-13-6-10;/h8,10,13H,3-7H2,1-2H3,(H,14,17);1H
InChIKeyHFROWNVRNFTKBG-UHFFFAOYSA-N
XLogP0.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
1-methyl-3-(4-nitrophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119460752
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 119460247) is 1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cc1nn(C)cc1C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is HFROWNVRNFTKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-9-11(8-16(2)15-9)12(17)14-7-10-4-3-5-13-6-10;/h8,10,13H,3-7H2,1-2H3,(H,14,17);1H.
What are the key properties of 1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 0.88, 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-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119460247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).