3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole

C10H8BrClN2 — CID 82379093

IUPAC3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole
SMILESCc1c(-c2ccc(Br)cc2)n[nH]c1Cl
InChIInChI=1S/C10H8BrClN2/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyGXTZKOJAVDYMLV-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.80
Rot. Bonds1

About 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole

3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole (PubChem CID 82379093) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole
PubChem CID82379093
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole
SMILESCc1c(-c2ccc(Br)cc2)n[nH]c1Cl
InChIInChI=1S/C10H8BrClN2/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyGXTZKOJAVDYMLV-UHFFFAOYSA-N
XLogP3.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(4-chlorophenyl)-4-methyl-1H-pyrazole
CID 82379095
4-(4-bromophenyl)-5-methyl-2H-triazole
CID 131398344
3-(4-bromophenyl)-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125455921
2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82489297
2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine
CID 102228159
[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 83848092
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone
CID 58188403
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
4-(3-bromophenyl)-5-chloro-3-(4-methylsulfanylphenyl)-1H-pyrazole
CID 70300089
3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
CID 19587640

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole?
The IUPAC name of 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole (CID 82379093) is 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole?
The canonical SMILES for 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole is Cc1c(-c2ccc(Br)cc2)n[nH]c1Cl.
What is the InChIKey of 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole?
The InChIKey is GXTZKOJAVDYMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,13,14).
What are the key properties of 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole?
3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole has a molecular weight of 271.55 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-chloro-4-methyl-1H-pyrazole is sourced from PubChem (CID 82379093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).