3-(4-bromophenyl)-5-chloro-1-methylpyrazole

C10H8BrClN2 — CID 12035670

IUPAC3-(4-bromophenyl)-5-chloro-1-methylpyrazole
SMILESCn1nc(-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C10H8BrClN2/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyMKXXVDQKTZAICM-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.50
Rot. Bonds1

About 3-(4-bromophenyl)-5-chloro-1-methylpyrazole

3-(4-bromophenyl)-5-chloro-1-methylpyrazole (PubChem CID 12035670) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-chloro-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-chloro-1-methylpyrazole
PubChem CID12035670
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name3-(4-bromophenyl)-5-chloro-1-methylpyrazole
SMILESCn1nc(-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C10H8BrClN2/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyMKXXVDQKTZAICM-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-chloro-1-methylpyrazole?
The IUPAC name of 3-(4-bromophenyl)-5-chloro-1-methylpyrazole (CID 12035670) is 3-(4-bromophenyl)-5-chloro-1-methylpyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-chloro-1-methylpyrazole?
The canonical SMILES for 3-(4-bromophenyl)-5-chloro-1-methylpyrazole is Cn1nc(-c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 3-(4-bromophenyl)-5-chloro-1-methylpyrazole?
The InChIKey is MKXXVDQKTZAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,1H3.
What are the key properties of 3-(4-bromophenyl)-5-chloro-1-methylpyrazole?
3-(4-bromophenyl)-5-chloro-1-methylpyrazole has a molecular weight of 271.55 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-chloro-1-methylpyrazole is sourced from PubChem (CID 12035670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).