3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine

C14H16F3N3O — CID 67456959

IUPAC3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H16F3N3O/c1-13(2,3)11-8-12(18)20(19-11)9-4-6-10(7-5-9)21-14(15,16)17/h4-8H,18H2,1-3H3
InChIKeyOSDVKYILGOROSH-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.65
Rot. Bonds2

About 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine

3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (PubChem CID 67456959) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
PubChem CID67456959
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H16F3N3O/c1-13(2,3)11-8-12(18)20(19-11)9-4-6-10(7-5-9)21-14(15,16)17/h4-8H,18H2,1-3H3
InChIKeyOSDVKYILGOROSH-UHFFFAOYSA-N
XLogP3.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-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 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (CID 67456959) is 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The InChIKey is OSDVKYILGOROSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-13(2,3)11-8-12(18)20(19-11)9-4-6-10(7-5-9)21-14(15,16)17/h4-8H,18H2,1-3H3.
What are the key properties of 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine has a molecular weight of 299.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is sourced from PubChem (CID 67456959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).