dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate

C25H22N2O6 — CID 169388753

IUPACdimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate
SMILESCOC(=O)c1c(-c2c(OC)ccc3ccc(OC)cc23)nn(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C25H22N2O6/c1-30-17-12-10-15-11-13-19(31-2)20(18(15)14-17)22-21(24(28)32-3)23(25(29)33-4)27(26-22)16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyCMEYMUJMHOFEOS-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.28
Rot. Bonds6

About dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate

dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate (PubChem CID 169388753) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate
PubChem CID169388753
Molecular FormulaC25H22N2O6
Molecular Weight446.46 g/mol
Exact Mass446.15
IUPAC Namedimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate
SMILESCOC(=O)c1c(-c2c(OC)ccc3ccc(OC)cc23)nn(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C25H22N2O6/c1-30-17-12-10-15-11-13-19(31-2)20(18(15)14-17)22-21(24(28)32-3)23(25(29)33-4)27(26-22)16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyCMEYMUJMHOFEOS-UHFFFAOYSA-N
XLogP4.28
TPSA88.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 3-[2-(2,5-dimethoxyphenyl)sulfanyl-6-methoxyphenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169390190
dimethyl 3-(2-fluoro-4,6-dimethoxyphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169389800
dimethyl 3-anthracen-9-yl-1-phenylpyrazole-4,5-dicarboxylate
CID 169387301
dimethyl 3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169390184
2-[4,5-bis(methoxycarbonyl)-1-phenylpyrazol-3-yl]-5-methoxybenzoic acid
CID 169388247
dimethyl 3-[2-(2,5-dimethoxyphenyl)sulfinylphenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169390193
dimethyl 3-(3-bromo-2-chloro-6-methoxyphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169390143
dimethyl 1-phenyl-3-(2,3,4-trifluoro-6-methoxyphenyl)pyrazole-4,5-dicarboxylate
CID 169390229
dimethyl 3-(2,4-dichloro-6-methoxyphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169389493
dimethyl 1-phenyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-4,5-dicarboxylate
CID 169388515
dimethyl 3-(4-methoxy-3-phenylphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169389686
dimethyl 3-[3-[(dimethylamino)methyl]-4-methoxyphenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389216

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate (CID 169388753) is dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate is COC(=O)c1c(-c2c(OC)ccc3ccc(OC)cc23)nn(-c2ccccc2)c1C(=O)OC.
What is the InChIKey of dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate?
The InChIKey is CMEYMUJMHOFEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c1-30-17-12-10-15-11-13-19(31-2)20(18(15)14-17)22-21(24(28)32-3)23(25(29)33-4)27(26-22)16-8-6-5-7-9-16/h5-14H,1-4H3.
What are the key properties of dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate?
dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate has a molecular weight of 446.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2,7-dimethoxynaphthalen-1-yl)-1-phenylpyrazole-4,5-dicarboxylate is sourced from PubChem (CID 169388753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).