2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine

C15H20BrN3O — CID 116818988

IUPAC2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
SMILESCOc1cccc(-n2nc(C(C)(C)CN)c(Br)c2C)c1
InChIInChI=1S/C15H20BrN3O/c1-10-13(16)14(15(2,3)9-17)18-19(10)11-6-5-7-12(8-11)20-4/h5-8H,9,17H2,1-4H3
InChIKeyJYVHFYWCDIBAAJ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.19
Rot. Bonds4

About 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine

2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine (PubChem CID 116818988) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
PubChem CID116818988
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
SMILESCOc1cccc(-n2nc(C(C)(C)CN)c(Br)c2C)c1
InChIInChI=1S/C15H20BrN3O/c1-10-13(16)14(15(2,3)9-17)18-19(10)11-6-5-7-12(8-11)20-4/h5-8H,9,17H2,1-4H3
InChIKeyJYVHFYWCDIBAAJ-UHFFFAOYSA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818979
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
[1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116819019
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475232
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
5-bromo-1-(3-methoxyphenyl)pyrazole
CID 112693887
5-chloro-4-(chloromethyl)-1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 114798549
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 114799034

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine (CID 116818988) is 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine is COc1cccc(-n2nc(C(C)(C)CN)c(Br)c2C)c1.
What is the InChIKey of 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is JYVHFYWCDIBAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10-13(16)14(15(2,3)9-17)18-19(10)11-6-5-7-12(8-11)20-4/h5-8H,9,17H2,1-4H3.
What are the key properties of 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine?
2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116818988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).