[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine

C15H17ClN4S — CID 105337177

IUPAC[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1csc2ccccc12
InChIInChI=1S/C15H17ClN4S/c1-2-7-20-15(12(16)8-18-20)14(19-17)11-9-21-13-6-4-3-5-10(11)13/h3-6,8-9,14,19H,2,7,17H2,1H3
InChIKeyCYDCRVGRYJFQPP-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.71
Rot. Bonds5

About [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine

[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105337177) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
PubChem CID105337177
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1csc2ccccc12
InChIInChI=1S/C15H17ClN4S/c1-2-7-20-15(12(16)8-18-20)14(19-17)11-9-21-13-6-4-3-5-10(11)13/h3-6,8-9,14,19H,2,7,17H2,1H3
InChIKeyCYDCRVGRYJFQPP-UHFFFAOYSA-N
XLogP3.71
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.71
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-(1-benzothiophen-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042658
[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307010
[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine
CID 105193576
1-(1-benzothiophen-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041383
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
[(4-chloro-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105337147
1-(1-benzothiophen-3-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046623
[(3-chloro-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107103824
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105337261
[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208071

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine (CID 105337177) is [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine is CCCn1ncc(Cl)c1C(NN)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is CYDCRVGRYJFQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c1-2-7-20-15(12(16)8-18-20)14(19-17)11-9-21-13-6-4-3-5-10(11)13/h3-6,8-9,14,19H,2,7,17H2,1H3.
What are the key properties of [1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 320.85 g/mol, XLogP of 3.71, 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-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105337177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).