1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C15H23F3N4O — CID 51091449

IUPAC1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C15H23F3N4O/c1-11-6-3-4-8-22(11)9-5-7-19-14(23)12-10-21(2)20-13(12)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,23)
InChIKeySIAWTEFCOSPTNP-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.43
Rot. Bonds5

About 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 51091449) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID51091449
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C15H23F3N4O/c1-11-6-3-4-8-22(11)9-5-7-19-14(23)12-10-21(2)20-13(12)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,23)
InChIKeySIAWTEFCOSPTNP-UHFFFAOYSA-N
XLogP2.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 51091449) is 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is CC1CCCCN1CCCNC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SIAWTEFCOSPTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-11-6-3-4-8-22(11)9-5-7-19-14(23)12-10-21(2)20-13(12)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,23).
What are the key properties of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51091449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).