3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C13H19F3N4O — CID 43603368

IUPAC3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H19F3N4O/c1-8-11(9(2)19-18-8)12(21)20(7-13(14,15)16)10-3-5-17-6-4-10/h10,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyJQIYHYJQYMCWGZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.78
Rot. Bonds3

About 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43603368) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID43603368
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H19F3N4O/c1-8-11(9(2)19-18-8)12(21)20(7-13(14,15)16)10-3-5-17-6-4-10/h10,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyJQIYHYJQYMCWGZ-UHFFFAOYSA-N
XLogP1.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 43603368) is 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JQIYHYJQYMCWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-8-11(9(2)19-18-8)12(21)20(7-13(14,15)16)10-3-5-17-6-4-10/h10,17H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43603368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).