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

C17H16N2O2 — CID 40525014

IUPACmethyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
SMILESCOC(=O)[C@H]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)16-12-15(13-8-4-2-5-9-13)18-19(16)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t16-/m1/s1
InChIKeyFUYVMLGFGPMEJH-MRXNPFEDSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds3

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

methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate (PubChem CID 40525014) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
PubChem CID40525014
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
SMILESCOC(=O)[C@H]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)16-12-15(13-8-4-2-5-9-13)18-19(16)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t16-/m1/s1
InChIKeyFUYVMLGFGPMEJH-MRXNPFEDSA-N
XLogP2.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate?
The IUPAC name of methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate (CID 40525014) is methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate.
What is the SMILES notation for methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate?
The canonical SMILES for methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate is COC(=O)[C@H]1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate?
The InChIKey is FUYVMLGFGPMEJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-17(20)16-12-15(13-8-4-2-5-9-13)18-19(16)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t16-/m1/s1.
What are the key properties of methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate?
methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate is sourced from PubChem (CID 40525014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).