1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine

C17H13F4N3 — CID 159448226

IUPAC1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine
SMILESFc1ccc(Nc2nn(C3CC3)c3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C17H13F4N3/c18-14-8-5-10(9-13(14)17(19,20)21)22-16-12-3-1-2-4-15(12)24(23-16)11-6-7-11/h1-5,8-9,11H,6-7H2,(H,22,23)
InChIKeyLTANLKFLMFQNMR-UHFFFAOYSA-N
MW335.30 g/mol
LogP5.27
Rot. Bonds3

About 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine

1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine (PubChem CID 159448226) has the molecular formula C17H13F4N3 and a molecular weight of 335.30 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine
PubChem CID159448226
Molecular FormulaC17H13F4N3
Molecular Weight335.30 g/mol
Exact Mass335.10
IUPAC Name1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine
SMILESFc1ccc(Nc2nn(C3CC3)c3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C17H13F4N3/c18-14-8-5-10(9-13(14)17(19,20)21)22-16-12-3-1-2-4-15(12)24(23-16)11-6-7-11/h1-5,8-9,11H,6-7H2,(H,22,23)
InChIKeyLTANLKFLMFQNMR-UHFFFAOYSA-N
XLogP5.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.30
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine?
The IUPAC name of 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine (CID 159448226) is 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine is Fc1ccc(Nc2nn(C3CC3)c3ccccc23)cc1C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine?
The InChIKey is LTANLKFLMFQNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3/c18-14-8-5-10(9-13(14)17(19,20)21)22-16-12-3-1-2-4-15(12)24(23-16)11-6-7-11/h1-5,8-9,11H,6-7H2,(H,22,23).
What are the key properties of 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine?
1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine has a molecular weight of 335.30 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]indazol-3-amine is sourced from PubChem (CID 159448226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).