4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole

C7H9BrF2N2O — CID 177233522

IUPAC4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1cc(Br)c(C(F)F)n1
InChIInChI=1S/C7H9BrF2N2O/c1-13-3-2-12-4-5(8)6(11-12)7(9)10/h4,7H,2-3H2,1H3
InChIKeyMRODQGAGDOPBQI-UHFFFAOYSA-N
MW255.06 g/mol
LogP2.23
Rot. Bonds4

About 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole

4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole (PubChem CID 177233522) has the molecular formula C7H9BrF2N2O and a molecular weight of 255.06 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole
PubChem CID177233522
Molecular FormulaC7H9BrF2N2O
Molecular Weight255.06 g/mol
Exact Mass253.99
IUPAC Name4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1cc(Br)c(C(F)F)n1
InChIInChI=1S/C7H9BrF2N2O/c1-13-3-2-12-4-5(8)6(11-12)7(9)10/h4,7H,2-3H2,1H3
InChIKeyMRODQGAGDOPBQI-UHFFFAOYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-1,3-dimethyl-1H-pyrazole
CID 12615416
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2794651
4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 11831205
4-bromo-1-ethyl-3-methyl-1H-pyrazole
CID 4105398
ethyl 2-(4-bromo-5-methyl-1H-pyrazol-1-yl)acetate
CID 4420801
ethyl 2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetate
CID 4548072
4-bromo-1-ethyl-5-methyl-1H-pyrazole
CID 25219331
4-Bromo-1-(difluoromethyl)-3-methyl-1H-pyrazole
CID 46318312
4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrazole
CID 51000270
4-bromo-1-isopropyl-5-methyl-1H-pyrazole
CID 83381547
4-bromo-5-(fluoromethyl)-1-methyl-1H-pyrazole
CID 131598370
4-Bromo-5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 132586132

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole (CID 177233522) is 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole is COCCn1cc(Br)c(C(F)F)n1.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole?
The InChIKey is MRODQGAGDOPBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2N2O/c1-13-3-2-12-4-5(8)6(11-12)7(9)10/h4,7H,2-3H2,1H3.
What are the key properties of 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole?
4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole has a molecular weight of 255.06 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 177233522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).