5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine

C12H12F3N3 — CID 75355917

IUPAC5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESCCc1c(N)cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3/c1-2-11-10(16)7-17-18(11)9-5-3-8(4-6-9)12(13,14)15/h3-7H,2,16H2,1H3
InChIKeyDDZZKOBQMKKUDQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.04
Rot. Bonds2

About 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine

5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine (PubChem CID 75355917) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
PubChem CID75355917
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESCCc1c(N)cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3/c1-2-11-10(16)7-17-18(11)9-5-3-8(4-6-9)12(13,14)15/h3-7H,2,16H2,1H3
InChIKeyDDZZKOBQMKKUDQ-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine 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 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine?
The IUPAC name of 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine (CID 75355917) is 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine is CCc1c(N)cnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine?
The InChIKey is DDZZKOBQMKKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-2-11-10(16)7-17-18(11)9-5-3-8(4-6-9)12(13,14)15/h3-7H,2,16H2,1H3.
What are the key properties of 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine?
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine has a molecular weight of 255.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 75355917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).