5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole

C9H5BrClFN2 — CID 131848610

IUPAC5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole
SMILESFc1c(Br)cccc1-c1[nH]ncc1Cl
InChIInChI=1S/C9H5BrClFN2/c10-6-3-1-2-5(8(6)12)9-7(11)4-13-14-9/h1-4H,(H,13,14)
InChIKeyPTPQBNJVIPXFRZ-UHFFFAOYSA-N
MW275.51 g/mol
LogP3.63
Rot. Bonds1

About 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole

5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole (PubChem CID 131848610) has the molecular formula C9H5BrClFN2 and a molecular weight of 275.51 g/mol. Its IUPAC name is 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole.

Molecular Properties

Compound Name5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole
PubChem CID131848610
Molecular FormulaC9H5BrClFN2
Molecular Weight275.51 g/mol
Exact Mass273.93
IUPAC Name5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole
SMILESFc1c(Br)cccc1-c1[nH]ncc1Cl
InChIInChI=1S/C9H5BrClFN2/c10-6-3-1-2-5(8(6)12)9-7(11)4-13-14-9/h1-4H,(H,13,14)
InChIKeyPTPQBNJVIPXFRZ-UHFFFAOYSA-N
XLogP3.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole 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

4-chloro-5-(2-chlorophenyl)-1H-pyrazole
CID 22916491
4-chloro-5-(2,4-difluorophenyl)-1H-pyrazole
CID 61395010
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
CID 145022790
5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 107955203
4-chloro-5-(3,4-difluorophenyl)-1H-pyrazole
CID 61395009
3-(3-bromo-2-fluorophenyl)pyridine
CID 67900310
5-(2,3-difluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 83810701
3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106650668
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
6-(3-bromo-2-fluorophenyl)pyridin-3-ol
CID 106647051
4-bromo-5-(3,4-dichlorophenyl)-1H-pyrazole
CID 15766316

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole?
The IUPAC name of 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole (CID 131848610) is 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole.
What is the SMILES notation for 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole?
The canonical SMILES for 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole is Fc1c(Br)cccc1-c1[nH]ncc1Cl.
What is the InChIKey of 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole?
The InChIKey is PTPQBNJVIPXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2/c10-6-3-1-2-5(8(6)12)9-7(11)4-13-14-9/h1-4H,(H,13,14).
What are the key properties of 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole?
5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole has a molecular weight of 275.51 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole is sourced from PubChem (CID 131848610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).