1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole

C7H10F2N2O — CID 155181337

IUPAC1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole
SMILESCc1ccnn1CCOC(F)F
InChIInChI=1S/C7H10F2N2O/c1-6-2-3-10-11(6)4-5-12-7(8)9/h2-3,7H,4-5H2,1H3
InChIKeyASVTXZZZSVPYHD-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.43
Rot. Bonds4

About 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole

1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole (PubChem CID 155181337) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole
PubChem CID155181337
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole
SMILESCc1ccnn1CCOC(F)F
InChIInChI=1S/C7H10F2N2O/c1-6-2-3-10-11(6)4-5-12-7(8)9/h2-3,7H,4-5H2,1H3
InChIKeyASVTXZZZSVPYHD-UHFFFAOYSA-N
XLogP1.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
1,5-Dimethylpyrazole
CID 136502
N-Hydroxymethyl-3-methylpyrazole
CID 127159
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
Ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 2064143
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 19616490
2-[5-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 83828147
Ethyl 3-methyl-1H-pyrazole-1-acetate
CID 4578874
(5-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66971903

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole?
The IUPAC name of 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole (CID 155181337) is 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole?
The canonical SMILES for 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole is Cc1ccnn1CCOC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole?
The InChIKey is ASVTXZZZSVPYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-6-2-3-10-11(6)4-5-12-7(8)9/h2-3,7H,4-5H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole?
1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole has a molecular weight of 176.17 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)ethyl]-5-methylpyrazole is sourced from PubChem (CID 155181337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).