3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole

C11H7F3N2O2 — CID 2823341

IUPAC3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)10-4-7(15-16-10)6-1-2-8-9(3-6)18-5-17-8/h1-4H,5H2,(H,15,16)
InChIKeyIBBFTLXZTITAMF-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.82
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole

3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 2823341) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID2823341
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)10-4-7(15-16-10)6-1-2-8-9(3-6)18-5-17-8/h1-4H,5H2,(H,15,16)
InChIKeyIBBFTLXZTITAMF-UHFFFAOYSA-N
XLogP2.82
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Emrusolmin
CID 44608289
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
6-Amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600133
Sbb027123
CID 1477766
2-(5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl)-4-fluorophenol
CID 662650
(E)-1-(4-aminophenyl)-3-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)prop-2-en-1-one
CID 117935682
(E)-3-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 117935795
(E)-3-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 117935830
(E)-3-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-phenylprop-2-en-1-one
CID 117935850
5-(3,4-Dimethoxyphenyl)-1H-pyrazol-3-amine
CID 4358551
5-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11302666

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole (CID 2823341) is 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(-c2ccc3c(c2)OCO3)n[nH]1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is IBBFTLXZTITAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)10-4-7(15-16-10)6-1-2-8-9(3-6)18-5-17-8/h1-4H,5H2,(H,15,16).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 256.18 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 2823341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).