3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

C17H23ClN4O — CID 120598744

IUPAC3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1C(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-10-14(8-9-18-12)19-17(22)16-11-21(20-13(16)2)15-6-4-3-5-7-15;/h3-7,11-12,14,18H,8-10H2,1-2H3,(H,19,22);1H
InChIKeyPHBFWLXQNXBNLL-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.47
Rot. Bonds3

About 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 120598744) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID120598744
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1C(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-10-14(8-9-18-12)19-17(22)16-11-21(20-13(16)2)15-6-4-3-5-7-15;/h3-7,11-12,14,18H,8-10H2,1-2H3,(H,19,22);1H
InChIKeyPHBFWLXQNXBNLL-UHFFFAOYSA-N
XLogP2.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120601286
N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 120600789
3-(4-methoxyphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120602000
3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120597925
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
CID 120599721
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120602509
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119213678

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 120598744) is 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccccc2)cc1C(=O)NC1CCNC(C)C1.Cl.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is PHBFWLXQNXBNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12-10-14(8-9-18-12)19-17(22)16-11-21(20-13(16)2)15-6-4-3-5-7-15;/h3-7,11-12,14,18H,8-10H2,1-2H3,(H,19,22);1H.
What are the key properties of 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120598744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).