5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine

C13H11F3N4 — CID 136986200

IUPAC5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine
SMILESCc1[nH]c2cc(C(F)(F)F)ccc2c1-c1[nH]ncc1N
InChIInChI=1S/C13H11F3N4/c1-6-11(12-9(17)5-18-20-12)8-3-2-7(13(14,15)16)4-10(8)19-6/h2-5,19H,17H2,1H3,(H,18,20)
InChIKeyYWBKUJPHXVBETJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.47
Rot. Bonds1

About 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine

5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine (PubChem CID 136986200) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine
PubChem CID136986200
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine
SMILESCc1[nH]c2cc(C(F)(F)F)ccc2c1-c1[nH]ncc1N
InChIInChI=1S/C13H11F3N4/c1-6-11(12-9(17)5-18-20-12)8-3-2-7(13(14,15)16)4-10(8)19-6/h2-5,19H,17H2,1H3,(H,18,20)
InChIKeyYWBKUJPHXVBETJ-UHFFFAOYSA-N
XLogP3.47
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
CID 115110529
5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
CID 115108997
3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine
CID 136986044
3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
CID 141083856
5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine
CID 167071227
3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 121236449
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
CID 155678873
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole
CID 10149294
5-methyl-1H-pyrazol-4-amine;dihydrochloride
CID 50998688
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 121379891
methyl 2-amino-6-(trifluoromethyl)-1H-indole-3-carboxylate
CID 614749

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine (CID 136986200) is 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine is Cc1[nH]c2cc(C(F)(F)F)ccc2c1-c1[nH]ncc1N.
What is the InChIKey of 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine?
The InChIKey is YWBKUJPHXVBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c1-6-11(12-9(17)5-18-20-12)8-3-2-7(13(14,15)16)4-10(8)19-6/h2-5,19H,17H2,1H3,(H,18,20).
What are the key properties of 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine?
5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine has a molecular weight of 280.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine is sourced from PubChem (CID 136986200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).