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

C12H9F3N4 — CID 167071227

IUPAC5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cc(C(F)(F)F)cc2[nH]ccc12
InChIInChI=1S/C12H9F3N4/c13-12(14,15)6-3-8(11-9(16)5-18-19-11)7-1-2-17-10(7)4-6/h1-5,17H,16H2,(H,18,19)
InChIKeyXLKUFHGRYMZLKC-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.16
Rot. Bonds1

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

5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine (PubChem CID 167071227) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine
PubChem CID167071227
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cc(C(F)(F)F)cc2[nH]ccc12
InChIInChI=1S/C12H9F3N4/c13-12(14,15)6-3-8(11-9(16)5-18-19-11)7-1-2-17-10(7)4-6/h1-5,17H,16H2,(H,18,19)
InChIKeyXLKUFHGRYMZLKC-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

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Related Compounds

4-methyl-6-(trifluoromethyl)-1H-indole
CID 70228775
5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine
CID 136986200
4-propan-2-yl-6-(trifluoromethyl)-1H-indole
CID 58507761
4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
CID 59107889
5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine
CID 136986362
5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
CID 115108997
4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine
CID 141193519
2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 117359096
3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
CID 174741615
4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71736823
7-fluoro-1,4,4-trimethyl-9-(trifluoromethyl)-8-[6-(trifluoromethyl)-1H-indol-4-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302070
4-chloro-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 123538306

Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine (CID 167071227) is 5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1cc(C(F)(F)F)cc2[nH]ccc12.
What is the InChIKey of 5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine?
The InChIKey is XLKUFHGRYMZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c13-12(14,15)6-3-8(11-9(16)5-18-19-11)7-1-2-17-10(7)4-6/h1-5,17H,16H2,(H,18,19).
What are the key properties of 5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine?
5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-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-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine is sourced from PubChem (CID 167071227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).