3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C18H25ClN4O — CID 119460021

IUPAC3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-17(18(23)20-12-15-7-6-10-19-11-15)14(2)22(21-13)16-8-4-3-5-9-16;/h3-5,8-9,15,19H,6-7,10-12H2,1-2H3,(H,20,23);1H
InChIKeyGIIGDLCLAQOTOI-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.64
Rot. Bonds4

About 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride

3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119460021) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119460021
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-17(18(23)20-12-15-7-6-10-19-11-15)14(2)22(21-13)16-8-4-3-5-9-16;/h3-5,8-9,15,19H,6-7,10-12H2,1-2H3,(H,20,23);1H
InChIKeyGIIGDLCLAQOTOI-UHFFFAOYSA-N
XLogP2.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 119463358
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 119460021) is 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is GIIGDLCLAQOTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-13-17(18(23)20-12-15-7-6-10-19-11-15)14(2)22(21-13)16-8-4-3-5-9-16;/h3-5,8-9,15,19H,6-7,10-12H2,1-2H3,(H,20,23);1H.
What are the key properties of 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119460021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).