[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine

C15H18N4S — CID 105307010

IUPAC[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)c1csc2ccccc12
InChIInChI=1S/C15H18N4S/c1-2-9-19-13(7-8-17-19)15(18-16)12-10-20-14-6-4-3-5-11(12)14/h3-8,10,15,18H,2,9,16H2,1H3
InChIKeyNBABJEOSYXGKPB-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.06
Rot. Bonds5

About [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine

[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine (PubChem CID 105307010) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
PubChem CID105307010
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)c1csc2ccccc12
InChIInChI=1S/C15H18N4S/c1-2-9-19-13(7-8-17-19)15(18-16)12-10-20-14-6-4-3-5-11(12)14/h3-8,10,15,18H,2,9,16H2,1H3
InChIKeyNBABJEOSYXGKPB-UHFFFAOYSA-N
XLogP3.06
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.06
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-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337177
2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline
CID 105223752
[1-benzothiophen-2-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306988
1-(1-benzothiophen-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042658
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308265
1-(1-benzothiophen-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041383
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306987
[1-benzofuran-3-yl-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105262483
[(2-propylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105306960
[(3-methyl-2-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105209144
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine (CID 105307010) is [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine is CCCn1nccc1C(NN)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is NBABJEOSYXGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-2-9-19-13(7-8-17-19)15(18-16)12-10-20-14-6-4-3-5-11(12)14/h3-8,10,15,18H,2,9,16H2,1H3.
What are the key properties of [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine?
[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 286.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105307010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).