4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole

C11H9BrF2N2O — CID 171075985

IUPAC4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2c(Br)cnn2C(F)F)cc1
InChIInChI=1S/C11H9BrF2N2O/c1-17-8-4-2-7(3-5-8)10-9(12)6-15-16(10)11(13)14/h2-6,11H,1H3
InChIKeySVWVRLJYLXHRRW-UHFFFAOYSA-N
MW303.11 g/mol
LogP3.72
Rot. Bonds3

About 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole

4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole (PubChem CID 171075985) has the molecular formula C11H9BrF2N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole
PubChem CID171075985
Molecular FormulaC11H9BrF2N2O
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2c(Br)cnn2C(F)F)cc1
InChIInChI=1S/C11H9BrF2N2O/c1-17-8-4-2-7(3-5-8)10-9(12)6-15-16(10)11(13)14/h2-6,11H,1H3
InChIKeySVWVRLJYLXHRRW-UHFFFAOYSA-N
XLogP3.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole?
The IUPAC name of 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole (CID 171075985) is 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole?
The canonical SMILES for 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole is COc1ccc(-c2c(Br)cnn2C(F)F)cc1.
What is the InChIKey of 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole?
The InChIKey is SVWVRLJYLXHRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O/c1-17-8-4-2-7(3-5-8)10-9(12)6-15-16(10)11(13)14/h2-6,11H,1H3.
What are the key properties of 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole?
4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole has a molecular weight of 303.11 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 171075985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).