ethyl 1-hydroxypyrazole-3-carboxylate

C6H8N2O3 — CID 15194492

IUPACethyl 1-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(O)n1
InChIInChI=1S/C6H8N2O3/c1-2-11-6(9)5-3-4-8(10)7-5/h3-4,10H,2H2,1H3
InChIKeyPGBPMGLDQFJPCG-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.30
Rot. Bonds2

About ethyl 1-hydroxypyrazole-3-carboxylate

ethyl 1-hydroxypyrazole-3-carboxylate (PubChem CID 15194492) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is ethyl 1-hydroxypyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxypyrazole-3-carboxylate
PubChem CID15194492
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Nameethyl 1-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(O)n1
InChIInChI=1S/C6H8N2O3/c1-2-11-6(9)5-3-4-8(10)7-5/h3-4,10H,2H2,1H3
InChIKeyPGBPMGLDQFJPCG-UHFFFAOYSA-N
XLogP0.30
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

Methyl 1H-pyrazole-3-carboxylate
CID 565662
Ethyl 1H-pyrazole-3-carboxylate
CID 7147518
methyl 1-methyl-1H-pyrazole-5-carboxylate
CID 7017174
methyl 1-methyl-1H-pyrazole-3-carboxylate
CID 7017175
1H-Pyrazole-3-carboxylic acid, butyl ester
CID 183571
t-Butyl 1H-pyrazole-3-carboxylate
CID 15749156
Methyl 1,2,3-triazine-4-carboxylate
CID 15152498
Propan-2-yl 1H-pyrazole-5-carboxylate
CID 14149250
Methyl 1-amino-1H-pyrazole-5-carboxylate
CID 15152492
Ethyl 5-(methoxycarbonyl)-1H-pyrazole-1-acetate
CID 19576815
methyl 1H-pyrazole-5-carboxylate hydrochloride
CID 23294643
ethyl 1-isopropyl-1H-pyrazole-3-carboxylate
CID 23005998

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxypyrazole-3-carboxylate?
The IUPAC name of ethyl 1-hydroxypyrazole-3-carboxylate (CID 15194492) is ethyl 1-hydroxypyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-hydroxypyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-hydroxypyrazole-3-carboxylate is CCOC(=O)c1ccn(O)n1.
What is the InChIKey of ethyl 1-hydroxypyrazole-3-carboxylate?
The InChIKey is PGBPMGLDQFJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-11-6(9)5-3-4-8(10)7-5/h3-4,10H,2H2,1H3.
What are the key properties of ethyl 1-hydroxypyrazole-3-carboxylate?
ethyl 1-hydroxypyrazole-3-carboxylate has a molecular weight of 156.14 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxypyrazole-3-carboxylate is sourced from PubChem (CID 15194492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).