1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide

C11H12F3N5O2 — CID 169142735

IUPAC1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(OCC(F)(F)F)nn2C)n[nH]1
InChIInChI=1S/C11H12F3N5O2/c1-6-3-8(17-16-6)15-10(20)7-4-9(18-19(7)2)21-5-11(12,13)14/h3-4H,5H2,1-2H3,(H2,15,16,17,20)
InChIKeyQMYDFBCHOHFNRZ-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.65
Rot. Bonds4

About 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide

1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide (PubChem CID 169142735) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
PubChem CID169142735
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC Name1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(OCC(F)(F)F)nn2C)n[nH]1
InChIInChI=1S/C11H12F3N5O2/c1-6-3-8(17-16-6)15-10(20)7-4-9(18-19(7)2)21-5-11(12,13)14/h3-4H,5H2,1-2H3,(H2,15,16,17,20)
InChIKeyQMYDFBCHOHFNRZ-UHFFFAOYSA-N
XLogP1.65
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide (CID 169142735) is 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide is Cc1cc(NC(=O)c2cc(OCC(F)(F)F)nn2C)n[nH]1.
What is the InChIKey of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The InChIKey is QMYDFBCHOHFNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-6-3-8(17-16-6)15-10(20)7-4-9(18-19(7)2)21-5-11(12,13)14/h3-4H,5H2,1-2H3,(H2,15,16,17,20).
What are the key properties of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide has a molecular weight of 303.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide is sourced from PubChem (CID 169142735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).