4-(3-bromophenoxy)-1-methylpyrazole

C10H9BrN2O — CID 115047051

IUPAC4-(3-bromophenoxy)-1-methylpyrazole
SMILESCn1cc(Oc2cccc(Br)c2)cn1
InChIInChI=1S/C10H9BrN2O/c1-13-7-10(6-12-13)14-9-4-2-3-8(11)5-9/h2-7H,1H3
InChIKeyCEDNMKZBHJDEMW-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.97
Rot. Bonds2

About 4-(3-bromophenoxy)-1-methylpyrazole

4-(3-bromophenoxy)-1-methylpyrazole (PubChem CID 115047051) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3-bromophenoxy)-1-methylpyrazole
PubChem CID115047051
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name4-(3-bromophenoxy)-1-methylpyrazole
SMILESCn1cc(Oc2cccc(Br)c2)cn1
InChIInChI=1S/C10H9BrN2O/c1-13-7-10(6-12-13)14-9-4-2-3-8(11)5-9/h2-7H,1H3
InChIKeyCEDNMKZBHJDEMW-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 116793113
1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine
CID 117125328
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine
CID 116793296
5-bromo-2-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 114891101
3-(3-bromophenoxy)-1-methylpyrazol-4-amine
CID 103079054
5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one
CID 118021733
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730
6-(1-methylpyrazol-4-yl)oxypyridin-2-amine
CID 116794360
N-[[4-bromo-2-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116793140
4-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 83619748

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-1-methylpyrazole?
The IUPAC name of 4-(3-bromophenoxy)-1-methylpyrazole (CID 115047051) is 4-(3-bromophenoxy)-1-methylpyrazole.
What is the SMILES notation for 4-(3-bromophenoxy)-1-methylpyrazole?
The canonical SMILES for 4-(3-bromophenoxy)-1-methylpyrazole is Cn1cc(Oc2cccc(Br)c2)cn1.
What is the InChIKey of 4-(3-bromophenoxy)-1-methylpyrazole?
The InChIKey is CEDNMKZBHJDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-13-7-10(6-12-13)14-9-4-2-3-8(11)5-9/h2-7H,1H3.
What are the key properties of 4-(3-bromophenoxy)-1-methylpyrazole?
4-(3-bromophenoxy)-1-methylpyrazole has a molecular weight of 253.10 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-1-methylpyrazole is sourced from PubChem (CID 115047051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).