[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine

C14H16N4S — CID 102805130

IUPAC[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)cc1C(NN)c1cccc2ccsc12
InChIInChI=1S/C14H16N4S/c1-9-12(8-18(2)17-9)13(16-15)11-5-3-4-10-6-7-19-14(10)11/h3-8,13,16H,15H2,1-2H3
InChIKeyCSKXCHXOJLTHOZ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.50
Rot. Bonds3

About [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine

[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 102805130) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
PubChem CID102805130
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)cc1C(NN)c1cccc2ccsc12
InChIInChI=1S/C14H16N4S/c1-9-12(8-18(2)17-9)13(16-15)11-5-3-4-10-6-7-19-14(10)11/h3-8,13,16H,15H2,1-2H3
InChIKeyCSKXCHXOJLTHOZ-UHFFFAOYSA-N
XLogP2.50
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.50
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-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine
CID 107979326
[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228332
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727
[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103781
[1-benzothiophen-7-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105327742
[1-benzothiophen-7-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105327697
[1-benzothiophen-7-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105327729
[1-benzothiophen-7-yl-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269313
[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105327623
[1-benzothiophen-7-yl-(3-bromo-2-chlorophenyl)methyl]hydrazine
CID 105327736
[1-benzothiophen-7-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258549
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105172867

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine (CID 102805130) is [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine is Cc1nn(C)cc1C(NN)c1cccc2ccsc12.
What is the InChIKey of [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is CSKXCHXOJLTHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-12(8-18(2)17-9)13(16-15)11-5-3-4-10-6-7-19-14(10)11/h3-8,13,16H,15H2,1-2H3.
What are the key properties of [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine?
[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 272.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 102805130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).