1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid

C13H11F3N4O2 — CID 175939513

IUPAC1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1cn(-c2cn[nH]c2)c2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C11H10N4.C2HF3O2/c12-10-7-15(8-5-13-14-6-8)11-4-2-1-3-9(10)11;3-2(4,5)1(6)7/h1-7H,12H2,(H,13,14);(H,6,7)
InChIKeySVOSEHYNBQWINK-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.57
Rot. Bonds1

About 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid

1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 175939513) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID175939513
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1cn(-c2cn[nH]c2)c2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C11H10N4.C2HF3O2/c12-10-7-15(8-5-13-14-6-8)11-4-2-1-3-9(10)11;3-2(4,5)1(6)7/h1-7H,12H2,(H,13,14);(H,6,7)
InChIKeySVOSEHYNBQWINK-UHFFFAOYSA-N
XLogP2.57
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid (CID 175939513) is 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid is Nc1cn(-c2cn[nH]c2)c2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is SVOSEHYNBQWINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4.C2HF3O2/c12-10-7-15(8-5-13-14-6-8)11-4-2-1-3-9(10)11;3-2(4,5)1(6)7/h1-7H,12H2,(H,13,14);(H,6,7).
What are the key properties of 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid?
1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 312.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175939513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).