2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride

C17H23ClN4O2 — CID 120597824

IUPAC2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCc1ccc(-n2[nH]c(C(=O)NC3CCNC(C)C3)cc2=O)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11-3-5-14(6-4-11)21-16(22)10-15(20-21)17(23)19-13-7-8-18-12(2)9-13;/h3-6,10,12-13,18,20H,7-9H2,1-2H3,(H,19,23);1H
InChIKeyBUBIOJMHMVHZGW-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.77
Rot. Bonds3

About 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride

2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 120597824) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID120597824
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCc1ccc(-n2[nH]c(C(=O)NC3CCNC(C)C3)cc2=O)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11-3-5-14(6-4-11)21-16(22)10-15(20-21)17(23)19-13-7-8-18-12(2)9-13;/h3-6,10,12-13,18,20H,7-9H2,1-2H3,(H,19,23);1H
InChIKeyBUBIOJMHMVHZGW-UHFFFAOYSA-N
XLogP1.77
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 56740333
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CID 106995466
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599506
N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120600855
N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120598863
2-(methanesulfonamido)-5-methyl-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601210
1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120597820
4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120597856
4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 106995370
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride (CID 120597824) is 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride is Cc1ccc(-n2[nH]c(C(=O)NC3CCNC(C)C3)cc2=O)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is BUBIOJMHMVHZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-11-3-5-14(6-4-11)21-16(22)10-15(20-21)17(23)19-13-7-8-18-12(2)9-13;/h3-6,10,12-13,18,20H,7-9H2,1-2H3,(H,19,23);1H.
What are the key properties of 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride?
2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120597824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).