ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate

C17H19F5N2O2 — CID 171800552

IUPACethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)c(C2CC2)nn1CC12CC1CC(F)(F)C2
InChIInChI=1S/C17H19F5N2O2/c1-2-26-14(25)13-11(17(20,21)22)12(9-3-4-9)23-24(13)8-15-5-10(15)6-16(18,19)7-15/h9-10H,2-8H2,1H3
InChIKeyCBNHZQBOOKYOTK-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.39
Rot. Bonds5

About ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate

ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate (PubChem CID 171800552) has the molecular formula C17H19F5N2O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate
PubChem CID171800552
Molecular FormulaC17H19F5N2O2
Molecular Weight378.34 g/mol
Exact Mass378.14
IUPAC Nameethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)c(C2CC2)nn1CC12CC1CC(F)(F)C2
InChIInChI=1S/C17H19F5N2O2/c1-2-26-14(25)13-11(17(20,21)22)12(9-3-4-9)23-24(13)8-15-5-10(15)6-16(18,19)7-15/h9-10H,2-8H2,1H3
InChIKeyCBNHZQBOOKYOTK-UHFFFAOYSA-N
XLogP4.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate 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 ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate (CID 171800552) is ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate is CCOC(=O)c1c(C(F)(F)F)c(C2CC2)nn1CC12CC1CC(F)(F)C2.
What is the InChIKey of ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate?
The InChIKey is CBNHZQBOOKYOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F5N2O2/c1-2-26-14(25)13-11(17(20,21)22)12(9-3-4-9)23-24(13)8-15-5-10(15)6-16(18,19)7-15/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate?
ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate has a molecular weight of 378.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-1-[(3,3-difluoro-1-bicyclo[3.1.0]hexanyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxylate is sourced from PubChem (CID 171800552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).