1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine

C14H13F3N4 — CID 115108352

IUPAC1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine
SMILESCn1nc(-c2cn(C)c3c(C(F)(F)F)cccc23)cc1N
InChIInChI=1S/C14H13F3N4/c1-20-7-9(11-6-12(18)21(2)19-11)8-4-3-5-10(13(8)20)14(15,16)17/h3-7H,18H2,1-2H3
InChIKeyWWEACVGXRGEMDS-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.18
Rot. Bonds1

About 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine

1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine (PubChem CID 115108352) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine
PubChem CID115108352
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine
SMILESCn1nc(-c2cn(C)c3c(C(F)(F)F)cccc23)cc1N
InChIInChI=1S/C14H13F3N4/c1-20-7-9(11-6-12(18)21(2)19-11)8-4-3-5-10(13(8)20)14(15,16)17/h3-7H,18H2,1-2H3
InChIKeyWWEACVGXRGEMDS-UHFFFAOYSA-N
XLogP3.18
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine
CID 84741562
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazol-5-amine
CID 115108348
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid
CID 115108350
1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117197297
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
1-methyl-3-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]pyrazol-5-amine
CID 117482129
3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 115112005
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propanoic acid
CID 117197320
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine (CID 115108352) is 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine is Cn1nc(-c2cn(C)c3c(C(F)(F)F)cccc23)cc1N.
What is the InChIKey of 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine?
The InChIKey is WWEACVGXRGEMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c1-20-7-9(11-6-12(18)21(2)19-11)8-4-3-5-10(13(8)20)14(15,16)17/h3-7H,18H2,1-2H3.
What are the key properties of 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine?
1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine has a molecular weight of 294.28 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine is sourced from PubChem (CID 115108352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).