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

C13H11F3N4 — CID 117449657

IUPAC1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
SMILESCn1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)c1N
InChIInChI=1S/C13H11F3N4/c1-20-12(17)9(6-18-20)7-3-2-4-10-8(7)5-11(19-10)13(14,15)16/h2-6,19H,17H2,1H3
InChIKeyHFPKREYPBPQDEY-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.17
Rot. Bonds1

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

1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine (PubChem CID 117449657) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
PubChem CID117449657
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
SMILESCn1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)c1N
InChIInChI=1S/C13H11F3N4/c1-20-12(17)9(6-18-20)7-3-2-4-10-8(7)5-11(19-10)13(14,15)16/h2-6,19H,17H2,1H3
InChIKeyHFPKREYPBPQDEY-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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine (CID 117449657) is 1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine is Cn1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)c1N.
What is the InChIKey of 1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine?
The InChIKey is HFPKREYPBPQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c1-20-12(17)9(6-18-20)7-3-2-4-10-8(7)5-11(19-10)13(14,15)16/h2-6,19H,17H2,1H3.
What are the key properties of 1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine?
1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-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-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine is sourced from PubChem (CID 117449657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).