ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

C22H20N2O2 — CID 170722092

IUPACethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C22H20N2O2/c1-2-26-22(25)20-15-21(24(23-20)19-10-4-3-5-11-19)18-13-12-16-8-6-7-9-17(16)14-18/h3-14,21H,2,15H2,1H3
InChIKeyDEDZLZBMUSIXKP-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.71
Rot. Bonds4

About ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 170722092) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID170722092
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Nameethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C22H20N2O2/c1-2-26-22(25)20-15-21(24(23-20)19-10-4-3-5-11-19)18-13-12-16-8-6-7-9-17(16)14-18/h3-14,21H,2,15H2,1H3
InChIKeyDEDZLZBMUSIXKP-UHFFFAOYSA-N
XLogP4.71
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2816208
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CID 2816209
ethyl 2-diazo-2-(2,3-diphenyl-1H-isoquinolin-1-yl)acetate
CID 122208031
Ethyl 2-(2,5-difluorophenyl)-4-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 59664784
2,2,2-Trifluoroethyl 2-methyl-2-(7-naphthalen-2-yl-5-phenyl-5,6-diazaspiro[2.4]hept-6-en-4-yl)propanoate
CID 163286993
2,2,2-Trifluoroethyl 3-[7-(3,4-dimethylphenyl)-5-phenyl-5,6-diazaspiro[2.4]hept-6-en-4-yl]-2-methylpropanoate
CID 163287012
Ethyl 2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 170722106
Ethyl 1,3,4-triphenyl-4,5-dihydro-1h-pyrazole-5-carboxylate
CID 13843977
ethyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 51902936
ethyl (3S,4S)-2,3,4-triphenyl-3,4-dihydropyrazole-5-carboxylate
CID 139229195
ethyl (3R,4S)-2,3,4-triphenyl-3,4-dihydropyrazole-5-carboxylate
CID 139229196
Ethyl 1-phenyl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole-3-carboxylate
CID 145919037

Frequently Asked Questions

What is the IUPAC name of ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate (CID 170722092) is ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(c2ccc3ccccc3c2)C1.
What is the InChIKey of ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is DEDZLZBMUSIXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-26-22(25)20-15-21(24(23-20)19-10-4-3-5-11-19)18-13-12-16-8-6-7-9-17(16)14-18/h3-14,21H,2,15H2,1H3.
What are the key properties of ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 170722092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).