4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole

C6H7BrF2N2O — CID 157025704

IUPAC4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole
SMILESCOCn1cc(Br)c(C(F)F)n1
InChIInChI=1S/C6H7BrF2N2O/c1-12-3-11-2-4(7)5(10-11)6(8)9/h2,6H,3H2,1H3
InChIKeyIWKNCAVXSBKDPD-UHFFFAOYSA-N
MW241.03 g/mol
LogP2.19
Rot. Bonds3

About 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole

4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole (PubChem CID 157025704) has the molecular formula C6H7BrF2N2O and a molecular weight of 241.03 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole
PubChem CID157025704
Molecular FormulaC6H7BrF2N2O
Molecular Weight241.03 g/mol
Exact Mass239.97
IUPAC Name4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole
SMILESCOCn1cc(Br)c(C(F)F)n1
InChIInChI=1S/C6H7BrF2N2O/c1-12-3-11-2-4(7)5(10-11)6(8)9/h2,6H,3H2,1H3
InChIKeyIWKNCAVXSBKDPD-UHFFFAOYSA-N
XLogP2.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-bromo-3-(chloromethyl)-1-methyl-1H-pyrazole
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4-bromo-1-ethyl-5-methyl-1H-pyrazole
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4-Bromo-1-methyl-1H-pyrazole-3-carbonitrile
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1-(Difluoromethyl)-4-Iodo-3-Methyl-1H-Pyrazole
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole?
The IUPAC name of 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole (CID 157025704) is 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole is COCn1cc(Br)c(C(F)F)n1.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole?
The InChIKey is IWKNCAVXSBKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2O/c1-12-3-11-2-4(7)5(10-11)6(8)9/h2,6H,3H2,1H3.
What are the key properties of 4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole?
4-bromo-3-(difluoromethyl)-1-(methoxymethyl)pyrazole has a molecular weight of 241.03 g/mol, XLogP of 2.19, 3 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-(methoxymethyl)pyrazole is sourced from PubChem (CID 157025704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).