3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

C15H20BrN3O — CID 115369365

IUPAC3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCOc1cc(Br)ccc1-c1nn(C)c(N)c1CC(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)7-12-14(18-19(3)15(12)17)11-6-5-10(16)8-13(11)20-4/h5-6,8-9H,7,17H2,1-4H3
InChIKeySEQXCMMNEJRYPM-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.64
Rot. Bonds4

About 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (PubChem CID 115369365) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
PubChem CID115369365
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCOc1cc(Br)ccc1-c1nn(C)c(N)c1CC(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)7-12-14(18-19(3)15(12)17)11-6-5-10(16)8-13(11)20-4/h5-6,8-9H,7,17H2,1-4H3
InChIKeySEQXCMMNEJRYPM-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 114373232
3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 102883361
3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81110742
3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
3-(2-methoxy-3-pyridinyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 62874645
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 114373221
3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 53418218
3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670812
1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine
CID 63081015
3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 107988602
5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 62219092

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (CID 115369365) is 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is COc1cc(Br)ccc1-c1nn(C)c(N)c1CC(C)C.
What is the InChIKey of 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is SEQXCMMNEJRYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9(2)7-12-14(18-19(3)15(12)17)11-6-5-10(16)8-13(11)20-4/h5-6,8-9H,7,17H2,1-4H3.
What are the key properties of 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 338.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 115369365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).