2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol

C15H10BrClN2O — CID 776053

IUPAC2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C15H10BrClN2O/c16-10-3-1-2-9(6-10)13-8-14(19-18-13)12-7-11(17)4-5-15(12)20/h1-8,20H,(H,18,19)
InChIKeyHBIWZNFOGCRLEA-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.87
Rot. Bonds2

About 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol

2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol (PubChem CID 776053) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol
PubChem CID776053
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C15H10BrClN2O/c16-10-3-1-2-9(6-10)13-8-14(19-18-13)12-7-11(17)4-5-15(12)20/h1-8,20H,(H,18,19)
InChIKeyHBIWZNFOGCRLEA-UHFFFAOYSA-N
XLogP4.87
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol 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-2-(1H-pyrazol-3-yl)phenol
CID 87756
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
4-chloro-2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781244
4-bromo-2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 932600
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol
CID 698916
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 781212
4-chloro-2-(5-(2-nitrophenyl)-1H-pyrazol-3-yl)phenol
CID 3126074
4-bromo-2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 936906
4-chloro-2-(5-(2-methoxyphenyl)-1H-pyrazol-3-yl)phenol
CID 662360
4-Bromo-6-[5-(2-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
CID 662460
2-[5-(3-bromophenyl)-1H-pyrazol-3-yl]-4-methylphenol
CID 776051

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol?
The IUPAC name of 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol (CID 776053) is 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol.
What is the SMILES notation for 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol?
The canonical SMILES for 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol is Oc1ccc(Cl)cc1-c1cc(-c2cccc(Br)c2)n[nH]1.
What is the InChIKey of 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol?
The InChIKey is HBIWZNFOGCRLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-10-3-1-2-9(6-10)13-8-14(19-18-13)12-7-11(17)4-5-15(12)20/h1-8,20H,(H,18,19).
What are the key properties of 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol?
2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol has a molecular weight of 349.62 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-4-chlorophenol is sourced from PubChem (CID 776053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).