[1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine

C13H16BrN3O — CID 117124164

IUPAC[1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine
SMILESCCc1nn(-c2ccc(Br)cc2)c(OC)c1CN
InChIInChI=1S/C13H16BrN3O/c1-3-12-11(8-15)13(18-2)17(16-12)10-6-4-9(14)5-7-10/h4-7H,3,8,15H2,1-2H3
InChIKeyDVZFFICOFHXQTR-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.66
Rot. Bonds4

About [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine

[1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine (PubChem CID 117124164) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine
PubChem CID117124164
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name[1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine
SMILESCCc1nn(-c2ccc(Br)cc2)c(OC)c1CN
InChIInChI=1S/C13H16BrN3O/c1-3-12-11(8-15)13(18-2)17(16-12)10-6-4-9(14)5-7-10/h4-7H,3,8,15H2,1-2H3
InChIKeyDVZFFICOFHXQTR-UHFFFAOYSA-N
XLogP2.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 117124151
2-[1-(4-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117124197
1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine
CID 17381507
3-(aminomethyl)-1-(4-bromophenyl)-6-methylpyridazin-4-one
CID 82419304
N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
CID 107431113
ethyl 3-(4-bromophenyl)-5-ethyltriazole-4-carboxylate
CID 118059748
3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol
CID 117123889
3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxypyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042417
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
1-(4-bromophenyl)-5-ethoxypyrazole
CID 22347339

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine?
The IUPAC name of [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine (CID 117124164) is [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine?
The canonical SMILES for [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine is CCc1nn(-c2ccc(Br)cc2)c(OC)c1CN.
What is the InChIKey of [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine?
The InChIKey is DVZFFICOFHXQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-3-12-11(8-15)13(18-2)17(16-12)10-6-4-9(14)5-7-10/h4-7H,3,8,15H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine?
[1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine has a molecular weight of 310.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-3-ethyl-5-methoxypyrazol-4-yl]methanamine is sourced from PubChem (CID 117124164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).