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

C14H13F3N4 — CID 115108997

IUPAC5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
SMILESCc1c(-c2[nH]ncc2N)c2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C14H13F3N4/c1-7-12(13-10(18)6-19-20-13)9-5-8(14(15,16)17)3-4-11(9)21(7)2/h3-6H,18H2,1-2H3,(H,19,20)
InChIKeyLPZROUGIVCBTPB-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.48
Rot. Bonds1

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

5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine (PubChem CID 115108997) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
PubChem CID115108997
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
SMILESCc1c(-c2[nH]ncc2N)c2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C14H13F3N4/c1-7-12(13-10(18)6-19-20-13)9-5-8(14(15,16)17)3-4-11(9)21(7)2/h3-6H,18H2,1-2H3,(H,19,20)
InChIKeyLPZROUGIVCBTPB-UHFFFAOYSA-N
XLogP3.48
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine
CID 136986200
5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
CID 115108852
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119
3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine
CID 84743563
5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine
CID 167071227
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
CID 154541533
5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115109269
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742295
3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
CID 54229322
3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione
CID 117262584
5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115108943

Frequently Asked Questions

What is the IUPAC name of 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine (CID 115108997) is 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine is Cc1c(-c2[nH]ncc2N)c2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine?
The InChIKey is LPZROUGIVCBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c1-7-12(13-10(18)6-19-20-13)9-5-8(14(15,16)17)3-4-11(9)21(7)2/h3-6H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine?
5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine has a molecular weight of 294.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine is sourced from PubChem (CID 115108997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).