1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine

C15H19BrClN3O — CID 105182888

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
SMILESCCn1ncc(Br)c1C(NC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H19BrClN3O/c1-4-20-15(13(16)9-19-20)14(18-3)10(2)21-12-7-5-6-11(17)8-12/h5-10,14,18H,4H2,1-3H3
InChIKeyUMSHBJPDFAALMT-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine (PubChem CID 105182888) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
PubChem CID105182888
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
SMILESCCn1ncc(Br)c1C(NC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H19BrClN3O/c1-4-20-15(13(16)9-19-20)14(18-3)10(2)21-12-7-5-6-11(17)8-12/h5-10,14,18H,4H2,1-3H3
InChIKeyUMSHBJPDFAALMT-UHFFFAOYSA-N
XLogP4.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105132444
2-(3-chlorophenoxy)-1-(2-chlorophenyl)-N-methylpropan-1-amine
CID 105099609
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105040192
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114653033
[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288679
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105397219
[2-(3-chlorophenoxy)-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105306951
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 114659130
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine
CID 114661088

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine (CID 105182888) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine is CCn1ncc(Br)c1C(NC)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine?
The InChIKey is UMSHBJPDFAALMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-4-20-15(13(16)9-19-20)14(18-3)10(2)21-12-7-5-6-11(17)8-12/h5-10,14,18H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine has a molecular weight of 372.69 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 105182888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).