4-bromo-1-[(4-chlorophenyl)methyl]pyrazole

C10H8BrClN2 — CID 61029932

IUPAC4-bromo-1-[(4-chlorophenyl)methyl]pyrazole
SMILESClc1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C10H8BrClN2/c11-9-5-13-14(7-9)6-8-1-3-10(12)4-2-8/h1-5,7H,6H2
InChIKeyQPXQTEHJMLNIGU-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.35
Rot. Bonds2

About 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole

4-bromo-1-[(4-chlorophenyl)methyl]pyrazole (PubChem CID 61029932) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(4-chlorophenyl)methyl]pyrazole
PubChem CID61029932
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name4-bromo-1-[(4-chlorophenyl)methyl]pyrazole
SMILESClc1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C10H8BrClN2/c11-9-5-13-14(7-9)6-8-1-3-10(12)4-2-8/h1-5,7H,6H2
InChIKeyQPXQTEHJMLNIGU-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole?
The IUPAC name of 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole (CID 61029932) is 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole?
The canonical SMILES for 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole is Clc1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole?
The InChIKey is QPXQTEHJMLNIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c11-9-5-13-14(7-9)6-8-1-3-10(12)4-2-8/h1-5,7H,6H2.
What are the key properties of 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole?
4-bromo-1-[(4-chlorophenyl)methyl]pyrazole has a molecular weight of 271.55 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-chlorophenyl)methyl]pyrazole is sourced from PubChem (CID 61029932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).