ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate

C13H17F3N2O2 — CID 71186884

IUPACethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
SMILESCCOC(=O)C(CC)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C13H17F3N2O2/c1-3-9(12(19)20-4-2)18-10(8-5-6-8)7-11(17-18)13(14,15)16/h7-9H,3-6H2,1-2H3
InChIKeyJTGAKRSTDWYYDF-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.29
Rot. Bonds5

About ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate

ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate (PubChem CID 71186884) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
PubChem CID71186884
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Nameethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
SMILESCCOC(=O)C(CC)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C13H17F3N2O2/c1-3-9(12(19)20-4-2)18-10(8-5-6-8)7-11(17-18)13(14,15)16/h7-9H,3-6H2,1-2H3
InChIKeyJTGAKRSTDWYYDF-UHFFFAOYSA-N
XLogP3.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate with MolForge

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

Launch Full Analysis

Related Compounds

1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
Ethyl 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 6620904
5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-propanoic acid
CID 7018513
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 6485414
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 7017068
2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 67464323
2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid
CID 6485415
5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
CID 164630170
ethyl [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 7017154
[3-cyclopropyl-5-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 7018686
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CID 19576766
Ethyl 3,5-bis(difluoromethyl)-1H-pyrazole-1-acetate
CID 19618243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The IUPAC name of ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate (CID 71186884) is ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The canonical SMILES for ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate is CCOC(=O)C(CC)n1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The InChIKey is JTGAKRSTDWYYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-9(12(19)20-4-2)18-10(8-5-6-8)7-11(17-18)13(14,15)16/h7-9H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate?
ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate has a molecular weight of 290.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate is sourced from PubChem (CID 71186884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).