1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H19F3N4O — CID 51087578

IUPAC1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCN2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-19-9-10(11(18-19)13(14,15)16)12(21)17-5-8-20-6-3-2-4-7-20/h9H,2-8H2,1H3,(H,17,21)
InChIKeySKCHEOLWKLUJEL-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.65
Rot. Bonds4

About 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 51087578) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID51087578
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCN2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-19-9-10(11(18-19)13(14,15)16)12(21)17-5-8-20-6-3-2-4-7-20/h9H,2-8H2,1H3,(H,17,21)
InChIKeySKCHEOLWKLUJEL-UHFFFAOYSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 51087578) is 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCCN2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SKCHEOLWKLUJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-19-9-10(11(18-19)13(14,15)16)12(21)17-5-8-20-6-3-2-4-7-20/h9H,2-8H2,1H3,(H,17,21).
What are the key properties of 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51087578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).