1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole

C11H8BrClF2N2 — CID 66016696

IUPAC1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
SMILESFC(F)c1cc(Cl)n(Cc2cccc(Br)c2)n1
InChIInChI=1S/C11H8BrClF2N2/c12-8-3-1-2-7(4-8)6-17-10(13)5-9(16-17)11(14)15/h1-5,11H,6H2
InChIKeyOKAONHBMJOVLOC-UHFFFAOYSA-N
MW321.55 g/mol
LogP4.28
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole

1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole (PubChem CID 66016696) has the molecular formula C11H8BrClF2N2 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
PubChem CID66016696
Molecular FormulaC11H8BrClF2N2
Molecular Weight321.55 g/mol
Exact Mass319.95
IUPAC Name1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
SMILESFC(F)c1cc(Cl)n(Cc2cccc(Br)c2)n1
InChIInChI=1S/C11H8BrClF2N2/c12-8-3-1-2-7(4-8)6-17-10(13)5-9(16-17)11(14)15/h1-5,11H,6H2
InChIKeyOKAONHBMJOVLOC-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-chloro-3-(difluoromethyl)pyrazole
CID 66022590
1-[(2-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66015311
5-chloro-1-[(3-fluorophenyl)methyl]-3-propan-2-ylpyrazole
CID 66014899
1-[(3-bromophenyl)methyl]-4-(chloromethyl)-5-(difluoromethyl)pyrazole
CID 66437526
[1-[(3-bromophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methanamine
CID 66441405
1-[(3-bromophenyl)methyl]-2-chloropyrrole
CID 141433576
1-[(3-bromophenyl)methyl]-5-chloro-3-propan-2-ylpyrazole-4-carbonitrile
CID 63787909
[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
CID 55170494
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 63788260
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 63276741
1-[(3-bromophenyl)methyl]-4-chloro-3-iodopyrazole
CID 79784977

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole (CID 66016696) is 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole is FC(F)c1cc(Cl)n(Cc2cccc(Br)c2)n1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole?
The InChIKey is OKAONHBMJOVLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClF2N2/c12-8-3-1-2-7(4-8)6-17-10(13)5-9(16-17)11(14)15/h1-5,11H,6H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole?
1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole has a molecular weight of 321.55 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole is sourced from PubChem (CID 66016696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).