3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole

C19H17F3N2O2 — CID 123221518

IUPAC3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
SMILESC=CCn1nc(-c2ccc(OC)c(OC)c2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C19H17F3N2O2/c1-4-10-24-18-13(6-5-7-14(18)19(20,21)22)17(23-24)12-8-9-15(25-2)16(11-12)26-3/h4-9,11H,1,10H2,2-3H3
InChIKeyOBWOHJWFRIKFRD-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.93
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole

3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole (PubChem CID 123221518) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
PubChem CID123221518
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
SMILESC=CCn1nc(-c2ccc(OC)c(OC)c2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C19H17F3N2O2/c1-4-10-24-18-13(6-5-7-14(18)19(20,21)22)17(23-24)12-8-9-15(25-2)16(11-12)26-3/h4-9,11H,1,10H2,2-3H3
InChIKeyOBWOHJWFRIKFRD-UHFFFAOYSA-N
XLogP4.93
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 135428120
CID 135428120
CID 135507439
CID 135507439
CID 135524884
CID 135524884
CID 11660520
CID 11660520
CID 25161741
CID 25161741
CID 24982167
CID 24982167
CID 25102387
CID 25102387
CID 155559779
CID 155559779
CID 15990644
CID 15990644
CID 44277076
CID 44277076
CID 175435832
CID 175435832
CID 134611924
CID 134611924

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole (CID 123221518) is 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole is C=CCn1nc(-c2ccc(OC)c(OC)c2)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole?
The InChIKey is OBWOHJWFRIKFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-4-10-24-18-13(6-5-7-14(18)19(20,21)22)17(23-24)12-8-9-15(25-2)16(11-12)26-3/h4-9,11H,1,10H2,2-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole?
3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole has a molecular weight of 362.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole is sourced from PubChem (CID 123221518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).