3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole

C9H12F2N2O — CID 134606134

IUPAC3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole
SMILESCn1ccc(OCC2(C)CC2(F)F)n1
InChIInChI=1S/C9H12F2N2O/c1-8(5-9(8,10)11)6-14-7-3-4-13(2)12-7/h3-4H,5-6H2,1-2H3
InChIKeyPXHQTVOSTUYMTH-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.84
Rot. Bonds3

About 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole

3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole (PubChem CID 134606134) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole
PubChem CID134606134
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole
SMILESCn1ccc(OCC2(C)CC2(F)F)n1
InChIInChI=1S/C9H12F2N2O/c1-8(5-9(8,10)11)6-14-7-3-4-13(2)12-7/h3-4H,5-6H2,1-2H3
InChIKeyPXHQTVOSTUYMTH-UHFFFAOYSA-N
XLogP1.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-1-methyl-1H-pyrazole
CID 18622370
tert-butyl 3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole-1-carboxylate
CID 134587384
3-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 19424663
3-(Fluoromethoxy)-1-methylpyrazole
CID 70195105
5-(Difluoromethoxy)-1-methylpyrazole
CID 90773700
1-(Difluoromethyl)-3-ethoxy-1H-pyrazole
CID 118164917
3-(Difluoromethoxy)-1-ethylpyrazole
CID 118165035
1-Methyl-5-(trifluoromethoxy)pyrazole
CID 123205846
1-Methyl-3-(trifluoromethoxy)pyrazole
CID 123231295
1-(Difluoromethyl)-3-methoxypyrazole
CID 131166368
Tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole-1-carboxylate
CID 134393501
Tert-butyl 3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazole-1-carboxylate
CID 134393585

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole?
The IUPAC name of 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole (CID 134606134) is 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole?
The canonical SMILES for 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole is Cn1ccc(OCC2(C)CC2(F)F)n1.
What is the InChIKey of 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole?
The InChIKey is PXHQTVOSTUYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-8(5-9(8,10)11)6-14-7-3-4-13(2)12-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole?
3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole has a molecular weight of 202.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 134606134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).