3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole

C6H8F4N2 — CID 135267363

IUPAC3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole
SMILESCN1NC(C(F)F)=CC1C(F)F
InChIInChI=1S/C6H8F4N2/c1-12-4(6(9)10)2-3(11-12)5(7)8/h2,4-6,11H,1H3
InChIKeySLRGODHQDOHRKU-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.22
Rot. Bonds2

About 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole

3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole (PubChem CID 135267363) has the molecular formula C6H8F4N2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole
PubChem CID135267363
Molecular FormulaC6H8F4N2
Molecular Weight184.14 g/mol
Exact Mass184.06
IUPAC Name3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole
SMILESCN1NC(C(F)F)=CC1C(F)F
InChIInChI=1S/C6H8F4N2/c1-12-4(6(9)10)2-3(11-12)5(7)8/h2,4-6,11H,1H3
InChIKeySLRGODHQDOHRKU-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Difluoromethyl)-1-methylpyrazoline
CID 132275766
3-tert-butyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,5-bis(trifluoromethyl)-1H-pyrazole
CID 12225535
2,5-Dimethyl-3-(trifluoromethyl)-1,5-dihydropyrazole
CID 89932272
5-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrazole
CID 118281580
3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole
CID 129294118
1,2-dimethyl-1-[(Z)-5,5,5-trifluoropent-2-en-2-yl]hydrazine
CID 137427699
5-Ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole
CID 146393159
2,3-Dimethyl-5-(trifluoromethyl)-1,5-dihydropyrazole
CID 147728329
5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole
CID 175836408
2,5-Dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
CID 162544160
2-Methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole
CID 162618946
2,3,5-Trimethyl-1,5-dihydropyrazole
CID 59073866

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole?
The IUPAC name of 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole (CID 135267363) is 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole.
What is the SMILES notation for 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole?
The canonical SMILES for 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole is CN1NC(C(F)F)=CC1C(F)F.
What is the InChIKey of 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole?
The InChIKey is SLRGODHQDOHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2/c1-12-4(6(9)10)2-3(11-12)5(7)8/h2,4-6,11H,1H3.
What are the key properties of 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole?
3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole has a molecular weight of 184.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole is sourced from PubChem (CID 135267363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).