diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate

C15H18N2O4 — CID 139229194

IUPACdiethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OCC)C1
InChIInChI=1S/C15H18N2O4/c1-3-20-14(18)12-10-13(15(19)21-4-2)17(16-12)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3/t13-/m1/s1
InChIKeyNVCMPAUCUYGUDV-CYBMUJFWSA-N
MW290.32 g/mol
LogP1.75
Rot. Bonds5

About diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate

diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate (PubChem CID 139229194) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate
PubChem CID139229194
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namediethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OCC)C1
InChIInChI=1S/C15H18N2O4/c1-3-20-14(18)12-10-13(15(19)21-4-2)17(16-12)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3/t13-/m1/s1
InChIKeyNVCMPAUCUYGUDV-CYBMUJFWSA-N
XLogP1.75
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate?
The IUPAC name of diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate (CID 139229194) is diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate.
What is the SMILES notation for diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate?
The canonical SMILES for diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate is CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OCC)C1.
What is the InChIKey of diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate?
The InChIKey is NVCMPAUCUYGUDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-20-14(18)12-10-13(15(19)21-4-2)17(16-12)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3/t13-/m1/s1.
What are the key properties of diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate?
diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3R)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate is sourced from PubChem (CID 139229194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).