1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole

C12H11F3N4 — CID 157068873

IUPAC1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1ccn[nH]1.Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H8N2.C4H3F3N2/c9-7-1-2-8-6(5-7)3-4-10-8;5-4(6,7)3-1-2-8-9-3/h1-5,10H,9H2;1-2H,(H,8,9)
InChIKeyACERRTLAFSMNJO-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.18
Rot. Bonds

About 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole

1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole (PubChem CID 157068873) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole
PubChem CID157068873
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1ccn[nH]1.Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H8N2.C4H3F3N2/c9-7-1-2-8-6(5-7)3-4-10-8;5-4(6,7)3-1-2-8-9-3/h1-5,10H,9H2;1-2H,(H,8,9)
InChIKeyACERRTLAFSMNJO-UHFFFAOYSA-N
XLogP3.18
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(trifluoromethyl)-1H-pyrazole;hydrochloride
CID 142631997
ethyl formate;1H-indol-5-amine
CID 157059520
5,6-bis(trifluoromethyl)-1H-indole
CID 175260165
4-chloroaniline;5-chloro-1H-indole;ethene
CID 70508868
1H-indole;2-(trifluoromethyl)aniline
CID 158161787
2-(1,1-difluoroethyl)-1H-indol-6-amine
CID 84666688
5-fluoro-1H-indole;molecular fluorine
CID 123133815
2-(2-fluoropropan-2-yl)-1H-indol-6-amine
CID 84664033
1H-pyrrolo[2,3-c]pyridin-5-amine;dihydrochloride
CID 67382254
2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine
CID 82387850
CID 58930948
CID 58930948
2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
CID 53347635

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole (CID 157068873) is 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1ccn[nH]1.Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ACERRTLAFSMNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C4H3F3N2/c9-7-1-2-8-6(5-7)3-4-10-8;5-4(6,7)3-1-2-8-9-3/h1-5,10H,9H2;1-2H,(H,8,9).
What are the key properties of 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole?
1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 268.24 g/mol, XLogP of 3.18, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-amine;5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 157068873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).