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

C9H12BrN5S — CID 105231274

IUPAC4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
SMILESNNC(Cc1cc(Br)cs1)c1cn[nH]c1N
InChIInChI=1S/C9H12BrN5S/c10-5-1-6(16-4-5)2-8(14-12)7-3-13-15-9(7)11/h1,3-4,8,14H,2,12H2,(H3,11,13,15)
InChIKeyUNVPBOHWAGPRQS-UHFFFAOYSA-N
MW302.20 g/mol
LogP1.56
Rot. Bonds4

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

4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine (PubChem CID 105231274) has the molecular formula C9H12BrN5S and a molecular weight of 302.20 g/mol. Its IUPAC name is 4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
PubChem CID105231274
Molecular FormulaC9H12BrN5S
Molecular Weight302.20 g/mol
Exact Mass301.00
IUPAC Name4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
SMILESNNC(Cc1cc(Br)cs1)c1cn[nH]c1N
InChIInChI=1S/C9H12BrN5S/c10-5-1-6(16-4-5)2-8(14-12)7-3-13-15-9(7)11/h1,3-4,8,14H,2,12H2,(H3,11,13,15)
InChIKeyUNVPBOHWAGPRQS-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'}

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Related Compounds

4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231023
4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105263590
4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231027
4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231120
[2-(4-bromothiophen-2-yl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261639
[1-(5-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299240
[2-(4-bromothiophen-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213280
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
CID 105264927
[1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299354
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
4-(1-hydrazinyl-3-thiophen-3-ylpropyl)-1H-pyrazol-5-amine
CID 105231214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine (CID 105231274) is 4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine is NNC(Cc1cc(Br)cs1)c1cn[nH]c1N.
What is the InChIKey of 4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
The InChIKey is UNVPBOHWAGPRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5S/c10-5-1-6(16-4-5)2-8(14-12)7-3-13-15-9(7)11/h1,3-4,8,14H,2,12H2,(H3,11,13,15).
What are the key properties of 4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine?
4-[2-(4-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-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 105231274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).