5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine

C15H20BrN3O — CID 107722643

IUPAC5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCc1cc(Oc2c(N)c(C(C)C)nn2C)cc(C)c1Br
InChIInChI=1S/C15H20BrN3O/c1-8(2)14-13(17)15(19(5)18-14)20-11-6-9(3)12(16)10(4)7-11/h6-8H,17H2,1-5H3
InChIKeyNTEFEDFDFZWVLQ-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.30
Rot. Bonds3

About 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine

5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 107722643) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
PubChem CID107722643
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCc1cc(Oc2c(N)c(C(C)C)nn2C)cc(C)c1Br
InChIInChI=1S/C15H20BrN3O/c1-8(2)14-13(17)15(19(5)18-14)20-11-6-9(3)12(16)10(4)7-11/h6-8H,17H2,1-5H3
InChIKeyNTEFEDFDFZWVLQ-UHFFFAOYSA-N
XLogP4.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66012953
1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine
CID 66012353
1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine
CID 66011973
4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
CID 66013536
1-methyl-3-propan-2-yl-5-quinolin-3-yloxypyrazol-4-amine
CID 107386966
5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015672
5-N-(2,4-dimethylphenyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017263
1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018774
5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66011970
1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
CID 66013530
5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol
CID 114216560
2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine
CID 84710739

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine (CID 107722643) is 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine is Cc1cc(Oc2c(N)c(C(C)C)nn2C)cc(C)c1Br.
What is the InChIKey of 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The InChIKey is NTEFEDFDFZWVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-8(2)14-13(17)15(19(5)18-14)20-11-6-9(3)12(16)10(4)7-11/h6-8H,17H2,1-5H3.
What are the key properties of 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine?
5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 338.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 107722643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).