ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride

C7H12ClN4O2- — CID 3084550

IUPACethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride
SMILESCCOC(=O)c1c(NN)n[nH]c1C.[Cl-]
InChIInChI=1S/C7H12N4O2.ClH/c1-3-13-7(12)5-4(2)10-11-6(5)9-8;/h3,8H2,1-2H3,(H2,9,10,11);1H/p-1
InChIKeyMIVXLCHQGQNODO-UHFFFAOYSA-M
MW219.65 g/mol
LogP-2.82
Rot. Bonds3

About ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride

ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride (PubChem CID 3084550) has the molecular formula C7H12ClN4O2- and a molecular weight of 219.65 g/mol. Its IUPAC name is ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride.

Molecular Properties

Compound Nameethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride
PubChem CID3084550
Molecular FormulaC7H12ClN4O2-
Molecular Weight219.65 g/mol
Exact Mass219.07
IUPAC Nameethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride
SMILESCCOC(=O)c1c(NN)n[nH]c1C.[Cl-]
InChIInChI=1S/C7H12N4O2.ClH/c1-3-13-7(12)5-4(2)10-11-6(5)9-8;/h3,8H2,1-2H3,(H2,9,10,11);1H/p-1
InChIKeyMIVXLCHQGQNODO-UHFFFAOYSA-M
XLogP-2.82
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 5-2.82
H-Bond Donors ≤ 53
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 ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride?
The IUPAC name of ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride (CID 3084550) is ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride.
What is the SMILES notation for ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride?
The canonical SMILES for ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride is CCOC(=O)c1c(NN)n[nH]c1C.[Cl-].
What is the InChIKey of ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride?
The InChIKey is MIVXLCHQGQNODO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N4O2.ClH/c1-3-13-7(12)5-4(2)10-11-6(5)9-8;/h3,8H2,1-2H3,(H2,9,10,11);1H/p-1.
What are the key properties of ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride?
ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride has a molecular weight of 219.65 g/mol, XLogP of -2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydrazinyl-5-methyl-1H-pyrazole-4-carboxylate chloride is sourced from PubChem (CID 3084550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).