4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine

C9H12BrN5S — CID 105231023

IUPAC4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
SMILESNNC(Cc1ccc(Br)s1)c1cn[nH]c1N
InChIInChI=1S/C9H12BrN5S/c10-8-2-1-5(16-8)3-7(14-12)6-4-13-15-9(6)11/h1-2,4,7,14H,3,12H2,(H3,11,13,15)
InChIKeyLGYNBQLSUQCEAV-UHFFFAOYSA-N
MW302.20 g/mol
LogP1.56
Rot. Bonds4

About 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine

4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine (PubChem CID 105231023) has the molecular formula C9H12BrN5S and a molecular weight of 302.20 g/mol. Its IUPAC name is 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
PubChem CID105231023
Molecular FormulaC9H12BrN5S
Molecular Weight302.20 g/mol
Exact Mass301.00
IUPAC Name4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
SMILESNNC(Cc1ccc(Br)s1)c1cn[nH]c1N
InChIInChI=1S/C9H12BrN5S/c10-8-2-1-5(16-8)3-7(14-12)6-4-13-15-9(6)11/h1-2,4,7,14H,3,12H2,(H3,11,13,15)
InChIKeyLGYNBQLSUQCEAV-UHFFFAOYSA-N
XLogP1.56
TPSA92.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-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

4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231274
4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231120
4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231027
[2-(5-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192594
[1-(5-bromo-2-pyridinyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105267616
[2-(5-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105295770
[2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295646
[2-(5-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191030
[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine
CID 105295802
[2-(5-bromothiophen-2-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197265
[2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105248249
[2-(5-bromothiophen-2-yl)-1-quinolin-8-ylethyl]hydrazine
CID 105295729

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine (CID 105231023) is 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine is NNC(Cc1ccc(Br)s1)c1cn[nH]c1N.
What is the InChIKey of 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The InChIKey is LGYNBQLSUQCEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5S/c10-8-2-1-5(16-8)3-7(14-12)6-4-13-15-9(6)11/h1-2,4,7,14H,3,12H2,(H3,11,13,15).
What are the key properties of 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine has a molecular weight of 302.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 105231023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).