4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole

C11H9BrF2N2 — CID 176921856

IUPAC4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole
SMILESCc1nn(-c2ccc(C(F)F)cc2)cc1Br
InChIInChI=1S/C11H9BrF2N2/c1-7-10(12)6-16(15-7)9-4-2-8(3-5-9)11(13)14/h2-6,11H,1H3
InChIKeyHRKLBDZUPRLXFM-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.88
Rot. Bonds2

About 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole

4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole (PubChem CID 176921856) has the molecular formula C11H9BrF2N2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole
PubChem CID176921856
Molecular FormulaC11H9BrF2N2
Molecular Weight287.11 g/mol
Exact Mass285.99
IUPAC Name4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole
SMILESCc1nn(-c2ccc(C(F)F)cc2)cc1Br
InChIInChI=1S/C11H9BrF2N2/c1-7-10(12)6-16(15-7)9-4-2-8(3-5-9)11(13)14/h2-6,11H,1H3
InChIKeyHRKLBDZUPRLXFM-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-3-methylpyrazol-1-yl)-2-chlorobenzoic acid
CID 153409387
1-[4-bromo-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylmethanamine
CID 116818632
1-(4-bromophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545295
4-bromo-1,3-dimethylpyrazole
CID 12615416
4-(3,4-dimethylpyrazol-1-yl)benzenethiol
CID 143152522
3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 134203398
4-(4-amino-3-methylpyrazol-1-yl)benzenethiol
CID 143874116
4-bromo-1-(4-chlorophenyl)pyrazol-3-amine
CID 83867278
ethyl 1-[3-bromo-4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate
CID 163209376
3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 176921516
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
1-[2-bromo-4-(4-chloro-3-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 114061028

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole?
The IUPAC name of 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole (CID 176921856) is 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole.
What is the SMILES notation for 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole?
The canonical SMILES for 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole is Cc1nn(-c2ccc(C(F)F)cc2)cc1Br.
What is the InChIKey of 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole?
The InChIKey is HRKLBDZUPRLXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2/c1-7-10(12)6-16(15-7)9-4-2-8(3-5-9)11(13)14/h2-6,11H,1H3.
What are the key properties of 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole?
4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole has a molecular weight of 287.11 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[4-(difluoromethyl)phenyl]-3-methylpyrazole is sourced from PubChem (CID 176921856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).