1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole

C7H10F2N2O — CID 156748151

IUPAC1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole
SMILESCc1cnn(CCOC(F)F)c1
InChIInChI=1S/C7H10F2N2O/c1-6-4-10-11(5-6)2-3-12-7(8)9/h4-5,7H,2-3H2,1H3
InChIKeyDNQSEJDUHKJKFV-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.43
Rot. Bonds4

About 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole

1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole (PubChem CID 156748151) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole
PubChem CID156748151
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole
SMILESCc1cnn(CCOC(F)F)c1
InChIInChI=1S/C7H10F2N2O/c1-6-4-10-11(5-6)2-3-12-7(8)9/h4-5,7H,2-3H2,1H3
InChIKeyDNQSEJDUHKJKFV-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

4-Bromo-1-(2-methoxyethyl)-1H-pyrazole
CID 23247855
1-(2-Methoxyethyl)-1H-pyrazole
CID 21859716
4-iodo-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-pyrazole
CID 145874395
2-(4-Methyl-1H-pyrazol-1-yl)propan-1-ol
CID 45791165
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)methanamine
CID 60146845
1-(2-methoxyethyl)-4-methyl-1H-pyrazol-3-amine
CID 64039250
1-Methyl-4-(trifluoromethyl)-1H-pyrazole
CID 10920680
1-Tert-butyl-4-(trifluoromethyl)pyrazole
CID 57808376
(1-(2-Methoxyethyl)-1H-pyrazol-4-yl)boronic acid
CID 11275252
[1-(2-methoxyethyl)-1H-pyrazol-4-yl]methanamine
CID 62729144
2-(4-Methyl-1H-pyrazol-1-yl)ethanol hydrochloride
CID 53433651
methyl({[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl})amine
CID 62729927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole?
The IUPAC name of 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole (CID 156748151) is 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole?
The canonical SMILES for 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole is Cc1cnn(CCOC(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole?
The InChIKey is DNQSEJDUHKJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-6-4-10-11(5-6)2-3-12-7(8)9/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)ethyl]-4-methylpyrazole?
1-[2-(difluoromethoxy)ethyl]-4-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]-4-methylpyrazole is sourced from PubChem (CID 156748151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).