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

C14H18BrN3O — CID 66012953

IUPAC5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCc1cc(Br)ccc1Oc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C14H18BrN3O/c1-8(2)13-12(16)14(18(4)17-13)19-11-6-5-10(15)7-9(11)3/h5-8H,16H2,1-4H3
InChIKeyMDJBKIHTTCETKT-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.99
Rot. Bonds3

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

5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 66012953) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
PubChem CID66012953
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCc1cc(Br)ccc1Oc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C14H18BrN3O/c1-8(2)13-12(16)14(18(4)17-13)19-11-6-5-10(15)7-9(11)3/h5-8H,16H2,1-4H3
InChIKeyMDJBKIHTTCETKT-UHFFFAOYSA-N
XLogP3.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine (CID 66012953) is 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine is Cc1cc(Br)ccc1Oc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The InChIKey is MDJBKIHTTCETKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-8(2)13-12(16)14(18(4)17-13)19-11-6-5-10(15)7-9(11)3/h5-8H,16H2,1-4H3.
What are the key properties of 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine?
5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 324.22 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66012953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).