5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole

C11H13BrN2O — CID 84712363

IUPAC5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(Br)=NN2C)cc1
InChIInChI=1S/C11H13BrN2O/c1-14-10(7-11(12)13-14)8-3-5-9(15-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyIBRFBGBJFCPAAP-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.78
Rot. Bonds2

About 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole

5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole (PubChem CID 84712363) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole
PubChem CID84712363
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(Br)=NN2C)cc1
InChIInChI=1S/C11H13BrN2O/c1-14-10(7-11(12)13-14)8-3-5-9(15-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyIBRFBGBJFCPAAP-UHFFFAOYSA-N
XLogP2.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 6925478
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
6-hydroxy-5-[(3S)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazol-5-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 136917266
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
CID 133180239
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine
CID 101045950
4-(4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982870
3-(4-methoxyphenyl)-2-methyl-5-pyridin-4-yl-1,2-oxazolidine
CID 141109770
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7092205
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole?
The IUPAC name of 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole (CID 84712363) is 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole?
The canonical SMILES for 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole is COc1ccc(C2CC(Br)=NN2C)cc1.
What is the InChIKey of 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole?
The InChIKey is IBRFBGBJFCPAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-14-10(7-11(12)13-14)8-3-5-9(15-2)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole?
5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole has a molecular weight of 269.14 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 84712363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).