[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine

C12H18N4S — CID 103025780

IUPAC[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine
SMILESCn1cc(CCC(Cc2ccsc2)NN)cn1
InChIInChI=1S/C12H18N4S/c1-16-8-11(7-14-16)2-3-12(15-13)6-10-4-5-17-9-10/h4-5,7-9,12,15H,2-3,6,13H2,1H3
InChIKeyIFPOVFSVULNTPU-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.49
Rot. Bonds6

About [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine

[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine (PubChem CID 103025780) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine
PubChem CID103025780
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine
SMILESCn1cc(CCC(Cc2ccsc2)NN)cn1
InChIInChI=1S/C12H18N4S/c1-16-8-11(7-14-16)2-3-12(15-13)6-10-4-5-17-9-10/h4-5,7-9,12,15H,2-3,6,13H2,1H3
InChIKeyIFPOVFSVULNTPU-UHFFFAOYSA-N
XLogP1.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
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

1,4-di(thiophen-3-yl)butan-2-ylhydrazine
CID 105306843
4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
CID 103027778
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
[4-(1-methylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-yl]hydrazine
CID 103026715
(4-phenyl-1-thiophen-3-ylbutan-2-yl)hydrazine
CID 105205761
1-(1-methylpyrazol-4-yl)hex-5-en-3-ylhydrazine
CID 103027060
1-(1-methylpyrazol-4-yl)undecan-3-ylhydrazine
CID 103025813
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
1-thiophen-3-ylbutan-2-ylhydrazine
CID 105201099
1-(1-methylpyrazol-4-yl)tridecan-2-ylhydrazine
CID 105291057
N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 105244100
[3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propyl]hydrazine
CID 103025760

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine?
The IUPAC name of [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine (CID 103025780) is [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine is Cn1cc(CCC(Cc2ccsc2)NN)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine?
The InChIKey is IFPOVFSVULNTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-16-8-11(7-14-16)2-3-12(15-13)6-10-4-5-17-9-10/h4-5,7-9,12,15H,2-3,6,13H2,1H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine?
[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine has a molecular weight of 250.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 103025780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).