1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole

C12H10F2N2O2 — CID 176922321

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc3c(c2)OC(F)(F)O3)n1
InChIInChI=1S/C12H10F2N2O2/c1-7-5-8(2)16(15-7)9-3-4-10-11(6-9)18-12(13,14)17-10/h3-6H,1-2H3
InChIKeyYUWLSVRUUWNZHA-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.81
Rot. Bonds1

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole (PubChem CID 176922321) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole
PubChem CID176922321
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc3c(c2)OC(F)(F)O3)n1
InChIInChI=1S/C12H10F2N2O2/c1-7-5-8(2)16(15-7)9-3-4-10-11(6-9)18-12(13,14)17-10/h3-6H,1-2H3
InChIKeyYUWLSVRUUWNZHA-UHFFFAOYSA-N
XLogP2.81
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,5-dimethylpyrrole
CID 43394983
1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole
CID 172759400
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-1H-imidazole-2-thione
CID 81338890
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol
CID 51037755
4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane
CID 144651616
N-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylimidazol-2-amine
CID 106557550
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
CID 82512795
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide
CID 67057650
1-(4-azidophenyl)-3,5-dimethylpyrazole
CID 150446996

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole (CID 176922321) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccc3c(c2)OC(F)(F)O3)n1.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole?
The InChIKey is YUWLSVRUUWNZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-7-5-8(2)16(15-7)9-3-4-10-11(6-9)18-12(13,14)17-10/h3-6H,1-2H3.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole has a molecular weight of 252.22 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole is sourced from PubChem (CID 176922321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).