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

C13H11F3N4 — CID 136985773

IUPAC1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
SMILESCn1nc(N)cc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H11F3N4/c1-20-11(6-12(17)19-20)10-5-7-4-8(13(14,15)16)2-3-9(7)18-10/h2-6,18H,1H3,(H2,17,19)
InChIKeyMULGHLYICZBKTQ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.17
Rot. Bonds1

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

1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine (PubChem CID 136985773) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
PubChem CID136985773
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
SMILESCn1nc(N)cc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H11F3N4/c1-20-11(6-12(17)19-20)10-5-7-4-8(13(14,15)16)2-3-9(7)18-10/h2-6,18H,1H3,(H2,17,19)
InChIKeyMULGHLYICZBKTQ-UHFFFAOYSA-N
XLogP3.17
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]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

2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
CID 136985765
5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine
CID 18929405
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 136985793
1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985778
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247005
N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine
CID 126608157
2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247087
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine?
The IUPAC name of 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine (CID 136985773) is 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine is Cn1nc(N)cc1-c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine?
The InChIKey is MULGHLYICZBKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c1-20-11(6-12(17)19-20)10-5-7-4-8(13(14,15)16)2-3-9(7)18-10/h2-6,18H,1H3,(H2,17,19).
What are the key properties of 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine?
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine has a molecular weight of 280.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine is sourced from PubChem (CID 136985773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).