[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine

C11H15ClN4S — CID 105193576

IUPAC[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1cccs1
InChIInChI=1S/C11H15ClN4S/c1-2-5-16-11(8(12)7-14-16)10(15-13)9-4-3-6-17-9/h3-4,6-7,10,15H,2,5,13H2,1H3
InChIKeyDOARIIRGFVQCSE-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.56
Rot. Bonds5

About [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine

[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine (PubChem CID 105193576) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine
PubChem CID105193576
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1cccs1
InChIInChI=1S/C11H15ClN4S/c1-2-5-16-11(8(12)7-14-16)10(15-13)9-4-3-6-17-9/h3-4,6-7,10,15H,2,5,13H2,1H3
InChIKeyDOARIIRGFVQCSE-UHFFFAOYSA-N
XLogP2.56
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine?
The IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine (CID 105193576) is [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine is CCCn1ncc(Cl)c1C(NN)c1cccs1.
What is the InChIKey of [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine?
The InChIKey is DOARIIRGFVQCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-2-5-16-11(8(12)7-14-16)10(15-13)9-4-3-6-17-9/h3-4,6-7,10,15H,2,5,13H2,1H3.
What are the key properties of [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine?
[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine has a molecular weight of 270.79 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine is sourced from PubChem (CID 105193576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).