3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C17H23ClN4O — CID 119462686

IUPAC3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13-16(12-21(20-13)15-7-3-2-4-8-15)17(22)19-11-14-6-5-9-18-10-14;/h2-4,7-8,12,14,18H,5-6,9-11H2,1H3,(H,19,22);1H
InChIKeyARYQZQAVVOUANB-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.33
Rot. Bonds4

About 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride

3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119462686) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119462686
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13-16(12-21(20-13)15-7-3-2-4-8-15)17(22)19-11-14-6-5-9-18-10-14;/h2-4,7-8,12,14,18H,5-6,9-11H2,1H3,(H,19,22);1H
InChIKeyARYQZQAVVOUANB-UHFFFAOYSA-N
XLogP2.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.33
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
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
CID 119459838
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119459875
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119459876
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461433
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 119462686) is 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccccc2)cc1C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is ARYQZQAVVOUANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-13-16(12-21(20-13)15-7-3-2-4-8-15)17(22)19-11-14-6-5-9-18-10-14;/h2-4,7-8,12,14,18H,5-6,9-11H2,1H3,(H,19,22);1H.
What are the key properties of 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119462686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).