3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole

C16H12N2O2 — CID 175879316

IUPAC3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole
SMILESc1ccc(-n2ccc(-c3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C16H12N2O2/c1-2-4-13(5-3-1)18-9-8-14(17-18)12-6-7-15-16(10-12)20-11-19-15/h1-10H,11H2
InChIKeySZYXRLNGUOIHPR-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.27
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole

3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole (PubChem CID 175879316) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole
PubChem CID175879316
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole
SMILESc1ccc(-n2ccc(-c3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C16H12N2O2/c1-2-4-13(5-3-1)18-9-8-14(17-18)12-6-7-15-16(10-12)20-11-19-15/h1-10H,11H2
InChIKeySZYXRLNGUOIHPR-UHFFFAOYSA-N
XLogP3.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole 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

3-Methoxy-4-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]benzonitrile
CID 138471340
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
(3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 2060907
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
Sbb027123
CID 1477766
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 977088
3-(1,3-benzodioxol-5-yl)-1-(2-methylbenzyl)-1H-pyrazole
CID 1481697
3-(1,3-benzodioxol-5-yl)-1-(3,4-dichlorobenzyl)-1H-pyrazole
CID 1481709
[[3-(3,4-Dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea
CID 6902564
(E)-1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6903053
(NE)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6905154
(E)-1-(1,3-benzodioxol-5-yl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 9028090

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole (CID 175879316) is 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole is c1ccc(-n2ccc(-c3ccc4c(c3)OCO4)n2)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole?
The InChIKey is SZYXRLNGUOIHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-2-4-13(5-3-1)18-9-8-14(17-18)12-6-7-15-16(10-12)20-11-19-15/h1-10H,11H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole?
3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole has a molecular weight of 264.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole is sourced from PubChem (CID 175879316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).