5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine

C15H15F3N4 — CID 167467626

IUPAC5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine
SMILESNc1c[nH]c2ccc(CCCn3cc(C(F)(F)F)cn3)cc12
InChIInChI=1S/C15H15F3N4/c16-15(17,18)11-7-21-22(9-11)5-1-2-10-3-4-14-12(6-10)13(19)8-20-14/h3-4,6-9,20H,1-2,5,19H2
InChIKeyFSEFDIIRTDBPNV-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.60
Rot. Bonds4

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

5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine (PubChem CID 167467626) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine.

Molecular Properties

Compound Name5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine
PubChem CID167467626
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine
SMILESNc1c[nH]c2ccc(CCCn3cc(C(F)(F)F)cn3)cc12
InChIInChI=1S/C15H15F3N4/c16-15(17,18)11-7-21-22(9-11)5-1-2-10-3-4-14-12(6-10)13(19)8-20-14/h3-4,6-9,20H,1-2,5,19H2
InChIKeyFSEFDIIRTDBPNV-UHFFFAOYSA-N
XLogP3.60
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine?
The IUPAC name of 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine (CID 167467626) is 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine.
What is the SMILES notation for 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine?
The canonical SMILES for 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine is Nc1c[nH]c2ccc(CCCn3cc(C(F)(F)F)cn3)cc12.
What is the InChIKey of 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine?
The InChIKey is FSEFDIIRTDBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c16-15(17,18)11-7-21-22(9-11)5-1-2-10-3-4-14-12(6-10)13(19)8-20-14/h3-4,6-9,20H,1-2,5,19H2.
What are the key properties of 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine?
5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine has a molecular weight of 308.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-indol-3-amine is sourced from PubChem (CID 167467626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).