4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole

C9H5BrCl2N2 — CID 91806452

IUPAC4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole
SMILESClc1n[nH]c(Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C9H5BrCl2N2/c10-6-3-1-2-5(4-6)7-8(11)13-14-9(7)12/h1-4H,(H,13,14)
InChIKeyGFTKYYRNYFLYQC-UHFFFAOYSA-N
MW291.96 g/mol
LogP4.15
Rot. Bonds1

About 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole

4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole (PubChem CID 91806452) has the molecular formula C9H5BrCl2N2 and a molecular weight of 291.96 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole
PubChem CID91806452
Molecular FormulaC9H5BrCl2N2
Molecular Weight291.96 g/mol
Exact Mass289.90
IUPAC Name4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole
SMILESClc1n[nH]c(Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C9H5BrCl2N2/c10-6-3-1-2-5(4-6)7-8(11)13-14-9(7)12/h1-4H,(H,13,14)
InChIKeyGFTKYYRNYFLYQC-UHFFFAOYSA-N
XLogP4.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.96
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole?
The IUPAC name of 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole (CID 91806452) is 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole.
What is the SMILES notation for 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole?
The canonical SMILES for 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole is Clc1n[nH]c(Cl)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole?
The InChIKey is GFTKYYRNYFLYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2/c10-6-3-1-2-5(4-6)7-8(11)13-14-9(7)12/h1-4H,(H,13,14).
What are the key properties of 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole?
4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole has a molecular weight of 291.96 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole is sourced from PubChem (CID 91806452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).