(4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone

C19H15F3N2O — CID 59430877

IUPAC(4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone
SMILESC=CCn1nc(C(=O)c2ccc(C)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H15F3N2O/c1-3-10-24-16-11-14(19(20,21)22)8-9-15(16)17(23-24)18(25)13-6-4-12(2)5-7-13/h3-9,11H,1,10H2,2H3
InChIKeyQXLAJBQNZHGZPS-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.78
Rot. Bonds4

About (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone

(4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone (PubChem CID 59430877) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone
PubChem CID59430877
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name(4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone
SMILESC=CCn1nc(C(=O)c2ccc(C)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H15F3N2O/c1-3-10-24-16-11-14(19(20,21)22)8-9-15(16)17(23-24)18(25)13-6-4-12(2)5-7-13/h3-9,11H,1,10H2,2H3
InChIKeyQXLAJBQNZHGZPS-UHFFFAOYSA-N
XLogP4.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone (CID 59430877) is (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone is C=CCn1nc(C(=O)c2ccc(C)cc2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone?
The InChIKey is QXLAJBQNZHGZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-3-10-24-16-11-14(19(20,21)22)8-9-15(16)17(23-24)18(25)13-6-4-12(2)5-7-13/h3-9,11H,1,10H2,2H3.
What are the key properties of (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone?
(4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone has a molecular weight of 344.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-prop-2-enyl-6-(trifluoromethyl)indazol-3-yl]methanone is sourced from PubChem (CID 59430877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).