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

C17H22N4O2 — CID 120554828

IUPAC2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-n2[nH]c(C(=O)NC3CCNCC3C)cc2=O)cc1
InChIInChI=1S/C17H22N4O2/c1-11-3-5-13(6-4-11)21-16(22)9-15(20-21)17(23)19-14-7-8-18-10-12(14)2/h3-6,9,12,14,18,20H,7-8,10H2,1-2H3,(H,19,23)
InChIKeyPRYYOJGFXQESGI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.20
Rot. Bonds3

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

2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 120554828) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID120554828
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-n2[nH]c(C(=O)NC3CCNCC3C)cc2=O)cc1
InChIInChI=1S/C17H22N4O2/c1-11-3-5-13(6-4-11)21-16(22)9-15(20-21)17(23)19-14-7-8-18-10-12(14)2/h3-6,9,12,14,18,20H,7-8,10H2,1-2H3,(H,19,23)
InChIKeyPRYYOJGFXQESGI-UHFFFAOYSA-N
XLogP1.20
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide (CID 120554828) is 2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide is Cc1ccc(-n2[nH]c(C(=O)NC3CCNCC3C)cc2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is PRYYOJGFXQESGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-3-5-13(6-4-11)21-16(22)9-15(20-21)17(23)19-14-7-8-18-10-12(14)2/h3-6,9,12,14,18,20H,7-8,10H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide?
2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.20, 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-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 120554828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).