ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

C18H18N2O2 — CID 51902936

IUPACethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H18N2O2/c1-2-22-18(21)16-13-17(14-9-5-3-6-10-14)20(19-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3/t17-/m1/s1
InChIKeyHRFGZWWOYCNAHJ-QGZVFWFLSA-N
MW294.35 g/mol
LogP3.56
Rot. Bonds4

About ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 51902936) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID51902936
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H18N2O2/c1-2-22-18(21)16-13-17(14-9-5-3-6-10-14)20(19-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3/t17-/m1/s1
InChIKeyHRFGZWWOYCNAHJ-QGZVFWFLSA-N
XLogP3.56
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (CID 51902936) is ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is HRFGZWWOYCNAHJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-22-18(21)16-13-17(14-9-5-3-6-10-14)20(19-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3/t17-/m1/s1.
What are the key properties of ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 51902936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).