3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine

C14H11F3N4 — CID 102713739

IUPAC3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine
SMILESCc1cc2c(-n3cc(C(F)(F)F)cn3)ccc(N)c2cn1
InChIInChI=1S/C14H11F3N4/c1-8-4-10-11(6-19-8)12(18)2-3-13(10)21-7-9(5-20-21)14(15,16)17/h2-7H,18H2,1H3
InChIKeyAQXWWFXXBXZISU-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.33
Rot. Bonds1

About 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine

3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine (PubChem CID 102713739) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine.

Molecular Properties

Compound Name3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine
PubChem CID102713739
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine
SMILESCc1cc2c(-n3cc(C(F)(F)F)cn3)ccc(N)c2cn1
InChIInChI=1S/C14H11F3N4/c1-8-4-10-11(6-19-8)12(18)2-3-13(10)21-7-9(5-20-21)14(15,16)17/h2-7H,18H2,1H3
InChIKeyAQXWWFXXBXZISU-UHFFFAOYSA-N
XLogP3.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-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-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine?
The IUPAC name of 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine (CID 102713739) is 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine.
What is the SMILES notation for 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine?
The canonical SMILES for 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine is Cc1cc2c(-n3cc(C(F)(F)F)cn3)ccc(N)c2cn1.
What is the InChIKey of 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine?
The InChIKey is AQXWWFXXBXZISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-8-4-10-11(6-19-8)12(18)2-3-13(10)21-7-9(5-20-21)14(15,16)17/h2-7H,18H2,1H3.
What are the key properties of 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine?
3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine has a molecular weight of 292.26 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine is sourced from PubChem (CID 102713739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).