4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole

C11H11BrN2O — CID 83740823

IUPAC4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2[nH]ncc2Br)cc1C
InChIInChI=1S/C11H11BrN2O/c1-7-5-8(3-4-10(7)15-2)11-9(12)6-13-14-11/h3-6H,1-2H3,(H,13,14)
InChIKeyGRMOFGURJRSWEO-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.16
Rot. Bonds2

About 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole

4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole (PubChem CID 83740823) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole
PubChem CID83740823
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2[nH]ncc2Br)cc1C
InChIInChI=1S/C11H11BrN2O/c1-7-5-8(3-4-10(7)15-2)11-9(12)6-13-14-11/h3-6H,1-2H3,(H,13,14)
InChIKeyGRMOFGURJRSWEO-UHFFFAOYSA-N
XLogP3.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-bromo-5-(3,4-dichlorophenyl)-1H-pyrazole
CID 15766316
4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione
CID 23464758
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 59301205
6-bromo-2-(4-methoxy-3-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 79041465

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole (CID 83740823) is 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole is COc1ccc(-c2[nH]ncc2Br)cc1C.
What is the InChIKey of 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole?
The InChIKey is GRMOFGURJRSWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-5-8(3-4-10(7)15-2)11-9(12)6-13-14-11/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole?
4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole has a molecular weight of 267.13 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-methoxy-3-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 83740823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).