1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide

C11H15F3N4O — CID 82811687

IUPAC1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(C(F)(F)F)NC2)cn1
InChIInChI=1S/C11H15F3N4O/c1-18-6-7(4-16-18)10(19)17-8-2-3-9(15-5-8)11(12,13)14/h4,6,8-9,15H,2-3,5H2,1H3,(H,17,19)
InChIKeyYYTSTYWCVNYPGX-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.83
Rot. Bonds2

About 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide

1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 82811687) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID82811687
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(C(F)(F)F)NC2)cn1
InChIInChI=1S/C11H15F3N4O/c1-18-6-7(4-16-18)10(19)17-8-2-3-9(15-5-8)11(12,13)14/h4,6,8-9,15H,2-3,5H2,1H3,(H,17,19)
InChIKeyYYTSTYWCVNYPGX-UHFFFAOYSA-N
XLogP0.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide (CID 82811687) is 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCC(C(F)(F)F)NC2)cn1.
What is the InChIKey of 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is YYTSTYWCVNYPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-18-6-7(4-16-18)10(19)17-8-2-3-9(15-5-8)11(12,13)14/h4,6,8-9,15H,2-3,5H2,1H3,(H,17,19).
What are the key properties of 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide?
1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 82811687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).