2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C11H15F3N4O — CID 68776722

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nn1C1CCCCN1C(N)=O
InChIInChI=1S/C11H15F3N4O/c1-7-6-8(11(12,13)14)16-18(7)9-4-2-3-5-17(9)10(15)19/h6,9H,2-5H2,1H3,(H2,15,19)
InChIKeyGCYJSGOSSLEDJB-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.27
Rot. Bonds1

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 68776722) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID68776722
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nn1C1CCCCN1C(N)=O
InChIInChI=1S/C11H15F3N4O/c1-7-6-8(11(12,13)14)16-18(7)9-4-2-3-5-17(9)10(15)19/h6,9H,2-5H2,1H3,(H2,15,19)
InChIKeyGCYJSGOSSLEDJB-UHFFFAOYSA-N
XLogP2.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 68776722) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is Cc1cc(C(F)(F)F)nn1C1CCCCN1C(N)=O.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is GCYJSGOSSLEDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7-6-8(11(12,13)14)16-18(7)9-4-2-3-5-17(9)10(15)19/h6,9H,2-5H2,1H3,(H2,15,19).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 68776722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).