1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole

C13H14BrClN2 — CID 104509030

IUPAC1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
SMILESCCc1c(C)nn(-c2ccc(Br)cc2C)c1Cl
InChIInChI=1S/C13H14BrClN2/c1-4-11-9(3)16-17(13(11)15)12-6-5-10(14)7-8(12)2/h5-7H,4H2,1-3H3
InChIKeyPBPOEWRSVJAYAY-UHFFFAOYSA-N
MW313.63 g/mol
LogP4.47
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole

1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole (PubChem CID 104509030) has the molecular formula C13H14BrClN2 and a molecular weight of 313.63 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
PubChem CID104509030
Molecular FormulaC13H14BrClN2
Molecular Weight313.63 g/mol
Exact Mass312.00
IUPAC Name1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
SMILESCCc1c(C)nn(-c2ccc(Br)cc2C)c1Cl
InChIInChI=1S/C13H14BrClN2/c1-4-11-9(3)16-17(13(11)15)12-6-5-10(14)7-8(12)2/h5-7H,4H2,1-3H3
InChIKeyPBPOEWRSVJAYAY-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.63
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol
CID 116817882
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]acetonitrile
CID 116817926
1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 66023034
1-(4-bromo-2-methylphenyl)-3-tert-butyl-5-chloro-4-(chloromethyl)pyrazole
CID 104508804
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106
5-chloro-4-(chloromethyl)-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 63858394
1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
CID 104509024
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
CID 82091925
5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole
CID 66021998
N-[[1-(4-bromo-2-methylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431168
1-(4-bromo-2-methylphenyl)-5-chloro-3-(2-methylpropyl)-4-nitropyrazole
CID 104509038

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole (CID 104509030) is 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole is CCc1c(C)nn(-c2ccc(Br)cc2C)c1Cl.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole?
The InChIKey is PBPOEWRSVJAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2/c1-4-11-9(3)16-17(13(11)15)12-6-5-10(14)7-8(12)2/h5-7H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole?
1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole has a molecular weight of 313.63 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole is sourced from PubChem (CID 104509030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).