dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate

C19H18N2O4 — CID 7071906

IUPACdimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate
SMILESCOC(=O)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1C(=O)OC
InChIInChI=1S/C19H18N2O4/c1-24-18(22)15-16(13-9-5-3-6-10-13)20-21(17(15)19(23)25-2)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3/t15-,17+/m0/s1
InChIKeyDDSBFYRQWRIBIA-DOTOQJQBSA-N
MW338.36 g/mol
LogP2.24
Rot. Bonds4

About dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate

dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate (PubChem CID 7071906) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate
PubChem CID7071906
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namedimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate
SMILESCOC(=O)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1C(=O)OC
InChIInChI=1S/C19H18N2O4/c1-24-18(22)15-16(13-9-5-3-6-10-13)20-21(17(15)19(23)25-2)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3/t15-,17+/m0/s1
InChIKeyDDSBFYRQWRIBIA-DOTOQJQBSA-N
XLogP2.24
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (3S,4R)-2-methyl-5-phenyl-3,4-dihydropyrazole-3,4-dicarboxylate
CID 102308433
methyl 4-methyl-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylate
CID 22303138
dimethyl (3S,4R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-phenyl-3,4-dihydropyrazole-3,4-dicarboxylate
CID 135016445
methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate
CID 132918901
methyl (4S)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate
CID 124530326
methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014
(4-methoxyphenyl)-[(3R,4S)-2,3,5-triphenyl-3,4-dihydropyrazol-4-yl]methanone
CID 15197840
ethyl (3R,4S)-3-(4-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate
CID 23261584
dimethyl (1S,2S,3S,7R,8S,9R)-4,6-diphenyl-4,5-diazatetracyclo[7.2.2.02,8.03,7]trideca-5,10,12-triene-10,11-dicarboxylate
CID 10939104
dimethyl (3S,4S)-2,5-diphenyl-3-propan-2-yl-4H-pyrazole-3,4-dicarboxylate
CID 9430155
dimethyl (3R,4R)-2-(2,4-dibromophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazole-3,4-dicarboxylate
CID 98044907
dimethyl (1S,2R)-3,6-diphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 10665399

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate?
The IUPAC name of dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate (CID 7071906) is dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate?
The canonical SMILES for dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate is COC(=O)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate?
The InChIKey is DDSBFYRQWRIBIA-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-18(22)15-16(13-9-5-3-6-10-13)20-21(17(15)19(23)25-2)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3/t15-,17+/m0/s1.
What are the key properties of dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate?
dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate is sourced from PubChem (CID 7071906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).