2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C21H25F3N6O2 — CID 177051432

IUPAC2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCOc1cc(-n2cc3c(n2)CCCC3)ccn1.CCn1nc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H17N3O.C7H8F3N3O/c1-2-18-14-9-12(7-8-15-14)17-10-11-5-3-4-6-13(11)16-17;1-2-13-4(6(11)14)3-5(12-13)7(8,9)10/h7-10H,2-6H2,1H3;3H,2H2,1H3,(H2,11,14)
InChIKeyYHMNBHDOURDPLT-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.57
Rot. Bonds5

About 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177051432) has the molecular formula C21H25F3N6O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177051432
Molecular FormulaC21H25F3N6O2
Molecular Weight450.47 g/mol
Exact Mass450.20
IUPAC Name2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCOc1cc(-n2cc3c(n2)CCCC3)ccn1.CCn1nc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H17N3O.C7H8F3N3O/c1-2-18-14-9-12(7-8-15-14)17-10-11-5-3-4-6-13(11)16-17;1-2-13-4(6(11)14)3-5(12-13)7(8,9)10/h7-10H,2-6H2,1H3;3H,2H2,1H3,(H2,11,14)
InChIKeyYHMNBHDOURDPLT-UHFFFAOYSA-N
XLogP3.57
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)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 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177051432) is 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCOc1cc(-n2cc3c(n2)CCCC3)ccn1.CCn1nc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YHMNBHDOURDPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.C7H8F3N3O/c1-2-18-14-9-12(7-8-15-14)17-10-11-5-3-4-6-13(11)16-17;1-2-13-4(6(11)14)3-5(12-13)7(8,9)10/h7-10H,2-6H2,1H3;3H,2H2,1H3,(H2,11,14).
What are the key properties of 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177051432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).