5-(difluoromethoxy)-1,4-dimethylpyrazole

C6H8F2N2O — CID 91531384

IUPAC5-(difluoromethoxy)-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1OC(F)F
InChIInChI=1S/C6H8F2N2O/c1-4-3-9-10(2)5(4)11-6(7)8/h3,6H,1-2H3
InChIKeyKROZWMDVSPVNOW-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.33
Rot. Bonds2

About 5-(difluoromethoxy)-1,4-dimethylpyrazole

5-(difluoromethoxy)-1,4-dimethylpyrazole (PubChem CID 91531384) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1,4-dimethylpyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1,4-dimethylpyrazole
PubChem CID91531384
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name5-(difluoromethoxy)-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1OC(F)F
InChIInChI=1S/C6H8F2N2O/c1-4-3-9-10(2)5(4)11-6(7)8/h3,6H,1-2H3
InChIKeyKROZWMDVSPVNOW-UHFFFAOYSA-N
XLogP1.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanol
CID 11622348
5-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 12100054
4-Bromo-5-methoxy-1-methyl-1H-pyrazole
CID 13131235
(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanamine
CID 82594285
4-Iodo-3-methoxy-1-methyl-1H-pyrazole
CID 134540668
4-iodo-5-methoxy-1-methyl-1H-pyrazole
CID 135235808
3-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 82651116
4-Chloro-5-(difluoromethoxy)-1-methylpyrazole
CID 17909875
3-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 19424663
5-(Difluoromethoxy)-4-ethyl-1-methylpyrazole
CID 53720359
3-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 59340904
3-(Fluoromethoxy)-1-methylpyrazole
CID 70195105

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1,4-dimethylpyrazole?
The IUPAC name of 5-(difluoromethoxy)-1,4-dimethylpyrazole (CID 91531384) is 5-(difluoromethoxy)-1,4-dimethylpyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-1,4-dimethylpyrazole?
The canonical SMILES for 5-(difluoromethoxy)-1,4-dimethylpyrazole is Cc1cnn(C)c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1,4-dimethylpyrazole?
The InChIKey is KROZWMDVSPVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-4-3-9-10(2)5(4)11-6(7)8/h3,6H,1-2H3.
What are the key properties of 5-(difluoromethoxy)-1,4-dimethylpyrazole?
5-(difluoromethoxy)-1,4-dimethylpyrazole has a molecular weight of 162.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1,4-dimethylpyrazole is sourced from PubChem (CID 91531384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).