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

C19H17F3N2O2 — CID 11660520

IUPAC3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
SMILESC=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C19H17F3N2O2/c1-4-10-24-18-14(6-5-7-15(18)19(20,21)22)17(23-24)13-9-8-12(25-2)11-16(13)26-3/h4-9,11H,1,10H2,2-3H3
InChIKeyBMIOASGFHBRKJL-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.93
Rot. Bonds5

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

3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole (PubChem CID 11660520) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
PubChem CID11660520
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
SMILESC=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C19H17F3N2O2/c1-4-10-24-18-14(6-5-7-15(18)19(20,21)22)17(23-24)13-9-8-12(25-2)11-16(13)26-3/h4-9,11H,1,10H2,2-3H3
InChIKeyBMIOASGFHBRKJL-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

Way-169916
CID 135461982
1-(4-Methoxybenzyl)-3-((4-methoxybenzyl)oxy)-1H-indazole
CID 51357040
4-(6-hydroxy-1-propyl-1H-indazol-3-yl)benzene-1,3-diol
CID 135511863
4-(6-Hydroxy-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511929
4-(1-butyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135524510
2-(5,5-Dimethyl-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)ethanol
CID 10925670
2-(5,5-dimethyl-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)-N,N-diethylethanamine
CID 11999971
5,5-Dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene
CID 11999972
2-(5,5-dimethyl-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaen-10-yl)-N,N-dimethylethanamine
CID 44321968
4-[1-Benzyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
CID 135430624
1,3-Benzenediol, 4-[1-methyl-7-(trifluoromethyl)-1H-indazol-3-yl]-
CID 135465899
4-[1-(2-Methylpropyl)-7-(Trifluoromethyl)-1h-Indazol-3-Yl]benzene-1,3-Diol
CID 135566806

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole (CID 11660520) is 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole is C=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole?
The InChIKey is BMIOASGFHBRKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-4-10-24-18-14(6-5-7-15(18)19(20,21)22)17(23-24)13-9-8-12(25-2)11-16(13)26-3/h4-9,11H,1,10H2,2-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole?
3-(2,4-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-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole is sourced from PubChem (CID 11660520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).