ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride

C7H13ClN4O2S — CID 91666122

IUPACethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(SC)n[nH]c1NN.Cl
InChIInChI=1S/C7H12N4O2S.ClH/c1-3-13-7(12)4-5(9-8)10-11-6(4)14-2;/h3,8H2,1-2H3,(H2,9,10,11);1H
InChIKeyTZNIWCBEYXWXLI-UHFFFAOYSA-N
MW252.73 g/mol
LogP1.02
Rot. Bonds4

About ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride

ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride (PubChem CID 91666122) has the molecular formula C7H13ClN4O2S and a molecular weight of 252.73 g/mol. Its IUPAC name is ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride
PubChem CID91666122
Molecular FormulaC7H13ClN4O2S
Molecular Weight252.73 g/mol
Exact Mass252.04
IUPAC Nameethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(SC)n[nH]c1NN.Cl
InChIInChI=1S/C7H12N4O2S.ClH/c1-3-13-7(12)4-5(9-8)10-11-6(4)14-2;/h3,8H2,1-2H3,(H2,9,10,11);1H
InChIKeyTZNIWCBEYXWXLI-UHFFFAOYSA-N
XLogP1.02
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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CID 89121667
CID 89121667
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CID 102534352
4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
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ethyl 2-amino-4-(2-ethoxycarbonylhydrazinyl)-6-methylsulfanylpyrimidine-5-carboxylate
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ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride (CID 91666122) is ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride is CCOC(=O)c1c(SC)n[nH]c1NN.Cl.
What is the InChIKey of ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride?
The InChIKey is TZNIWCBEYXWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S.ClH/c1-3-13-7(12)4-5(9-8)10-11-6(4)14-2;/h3,8H2,1-2H3,(H2,9,10,11);1H.
What are the key properties of ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride?
ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride has a molecular weight of 252.73 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydrazinyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 91666122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).