ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate

C6H10N2O2 — CID 86307720

IUPACethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)[C@H]1CC=NN1
InChIInChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-4-7-8-5/h4-5,8H,2-3H2,1H3/t5-/m1/s1
InChIKeyUVWBRBQHQMCEGW-RXMQYKEDSA-N
MW142.16 g/mol
LogP-0.10
Rot. Bonds2

About ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate

ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate (PubChem CID 86307720) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate
PubChem CID86307720
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nameethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)[C@H]1CC=NN1
InChIInChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-4-7-8-5/h4-5,8H,2-3H2,1H3/t5-/m1/s1
InChIKeyUVWBRBQHQMCEGW-RXMQYKEDSA-N
XLogP-0.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 170905904
ethyl piperazine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate (CID 86307720) is ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate is CCOC(=O)[C@H]1CC=NN1.
What is the InChIKey of ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate?
The InChIKey is UVWBRBQHQMCEGW-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-10-6(9)5-3-4-7-8-5/h4-5,8H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate?
ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate has a molecular weight of 142.16 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 86307720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).