5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine

C12H9F3N4 — CID 117419196

IUPAC5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)[nH]n1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)10-4-7-3-6(1-2-8(7)17-10)9-5-11(16)19-18-9/h1-5,17H,(H3,16,18,19)
InChIKeyUBWJCJSGGXQXBL-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.16
Rot. Bonds1

About 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine

5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine (PubChem CID 117419196) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine
PubChem CID117419196
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)[nH]n1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)10-4-7-3-6(1-2-8(7)17-10)9-5-11(16)19-18-9/h1-5,17H,(H3,16,18,19)
InChIKeyUBWJCJSGGXQXBL-UHFFFAOYSA-N
XLogP3.16
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine 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

5-(5-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985649
5-methyl-2-(trifluoromethyl)-1H-indole
CID 83485208
5-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117494004
5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117308135
5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine
CID 136985546
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986
10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine
CID 171073426
5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
CID 83396217
5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine
CID 163569629
5-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117304019
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411
6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one
CID 117330218

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine (CID 117419196) is 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)[nH]n1.
What is the InChIKey of 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is UBWJCJSGGXQXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c13-12(14,15)10-4-7-3-6(1-2-8(7)17-10)9-5-11(16)19-18-9/h1-5,17H,(H3,16,18,19).
What are the key properties of 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine?
5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 266.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117419196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).