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

C13H20F3N3O — CID 60959740

IUPAC3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H20F3N3O/c1-5-10(6-2)19(7-13(14,15)16)12(20)11-8(3)17-18-9(11)4/h10H,5-7H2,1-4H3,(H,17,18)
InChIKeyMLSGWEZHSVDCRZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.22
Rot. Bonds5

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

3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60959740) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID60959740
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H20F3N3O/c1-5-10(6-2)19(7-13(14,15)16)12(20)11-8(3)17-18-9(11)4/h10H,5-7H2,1-4H3,(H,17,18)
InChIKeyMLSGWEZHSVDCRZ-UHFFFAOYSA-N
XLogP3.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 60959740) is 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MLSGWEZHSVDCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-5-10(6-2)19(7-13(14,15)16)12(20)11-8(3)17-18-9(11)4/h10H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60959740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).