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

C11H16F3N3O — CID 60959025

IUPAC3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H16F3N3O/c1-4-5-17(6-11(12,13)14)10(18)9-7(2)15-16-8(9)3/h4-6H2,1-3H3,(H,15,16)
InChIKeyWEWFPWZNUIBFNW-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.44
Rot. Bonds4

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

3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60959025) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID60959025
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H16F3N3O/c1-4-5-17(6-11(12,13)14)10(18)9-7(2)15-16-8(9)3/h4-6H2,1-3H3,(H,15,16)
InChIKeyWEWFPWZNUIBFNW-UHFFFAOYSA-N
XLogP2.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.44
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-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 60959025) is 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CCCN(CC(F)(F)F)C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WEWFPWZNUIBFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-5-17(6-11(12,13)14)10(18)9-7(2)15-16-8(9)3/h4-6H2,1-3H3,(H,15,16).
What are the key properties of 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60959025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).