ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate

C6H10N2O2 — CID 141062238

IUPACethyl 2,3-dihydro-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)C1=CCNN1
InChIInChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-4-7-8-5/h3,7-8H,2,4H2,1H3
InChIKeyHFZGFSOJGMXNAK-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.46
Rot. Bonds2

About ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate

ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate (PubChem CID 141062238) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydro-1H-pyrazole-5-carboxylate
PubChem CID141062238
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nameethyl 2,3-dihydro-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)C1=CCNN1
InChIInChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-4-7-8-5/h3,7-8H,2,4H2,1H3
InChIKeyHFZGFSOJGMXNAK-UHFFFAOYSA-N
XLogP-0.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-ethylsulfinyl-5,6-dihydro-2H-oxazine-3-carboxylate
CID 117058868
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 91508265
ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate
CID 134971013
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
diethyl 4H-selenopyran-2,6-dicarboxylate
CID 10661071
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
diethyl cyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 66809592
ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 23529487
ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
CID 66874062
ethyl cycloundecene-1-carboxylate
CID 154164177

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate (CID 141062238) is ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate is CCOC(=O)C1=CCNN1.
What is the InChIKey of ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate?
The InChIKey is HFZGFSOJGMXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-4-7-8-5/h3,7-8H,2,4H2,1H3.
What are the key properties of ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate?
ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate has a molecular weight of 142.16 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 141062238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).