1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine

C10H18BrN3S — CID 114653621

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
SMILESCCn1ncc(Br)c1C(N)CSC(C)C
InChIInChI=1S/C10H18BrN3S/c1-4-14-10(8(11)5-13-14)9(12)6-15-7(2)3/h5,7,9H,4,6,12H2,1-3H3
InChIKeyMJOOZLVEZZUSCE-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine (PubChem CID 114653621) has the molecular formula C10H18BrN3S and a molecular weight of 292.25 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
PubChem CID114653621
Molecular FormulaC10H18BrN3S
Molecular Weight292.25 g/mol
Exact Mass291.04
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
SMILESCCn1ncc(Br)c1C(N)CSC(C)C
InChIInChI=1S/C10H18BrN3S/c1-4-14-10(8(11)5-13-14)9(12)6-15-7(2)3/h5,7,9H,4,6,12H2,1-3H3
InChIKeyMJOOZLVEZZUSCE-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine 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)pentan-1-amine
CID 114657499
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653629
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148166
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475129
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
CID 114655875
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646680
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine (CID 114653621) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine is CCn1ncc(Br)c1C(N)CSC(C)C.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is MJOOZLVEZZUSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3S/c1-4-14-10(8(11)5-13-14)9(12)6-15-7(2)3/h5,7,9H,4,6,12H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 292.25 g/mol, XLogP of 2.81, 5 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-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 114653621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).