3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole

C12H11BrF2N2 — CID 134862272

IUPAC3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Br)cc2)cc1C(C)(F)F
InChIInChI=1S/C12H11BrF2N2/c1-12(14,15)11-7-10(16-17(11)2)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyYSFIOEYFWAXTLT-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.96
Rot. Bonds2

About 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole

3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole (PubChem CID 134862272) has the molecular formula C12H11BrF2N2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole
PubChem CID134862272
Molecular FormulaC12H11BrF2N2
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Br)cc2)cc1C(C)(F)F
InChIInChI=1S/C12H11BrF2N2/c1-12(14,15)11-7-10(16-17(11)2)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyYSFIOEYFWAXTLT-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-Dimethyl-3-phenylpyrazole
CID 139119
1H-Pyrazole, 5-(4-bromophenyl)-1,3-diphenyl-
CID 11372268
1-Methyl-3,5-diphenylpyrazole
CID 140517
4-(4-Fluorophenyl)-1,3,5-trimethylpyrazole
CID 102184445
3-(4-Bromophenyl)-1-methyl-1H-pyrazol-5-amine
CID 5337859
3-(4-Bromophenyl)-1-methyl-1H-pyrazole
CID 2819635
5-bromo-2,3-dimethyl-2H-indazole
CID 11499567
3-(3-Bromophenyl)-1-methyl-1H-pyrazole
CID 22329555
3-(4-bromophenyl)-1,4-dimethyl-1H-pyrazol-5-amine
CID 43158772
4-bromo-1,3-dimethyl-1H-indazole
CID 44119453
4-bromo-1,3-dimethyl-5-phenyl-1H-pyrazole
CID 68935937
3-bromo-1-(difluoromethyl)-1H-indazole
CID 151371947

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole?
The IUPAC name of 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole (CID 134862272) is 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole is Cn1nc(-c2ccc(Br)cc2)cc1C(C)(F)F.
What is the InChIKey of 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole?
The InChIKey is YSFIOEYFWAXTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2/c1-12(14,15)11-7-10(16-17(11)2)8-3-5-9(13)6-4-8/h3-7H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole?
3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole has a molecular weight of 301.13 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(1,1-difluoroethyl)-1-methylpyrazole is sourced from PubChem (CID 134862272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).