dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate

C22H23N3O4 — CID 169388728

IUPACdimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
SMILESCCN(C)c1ccc(-c2nn(-c3ccccc3)c(C(=O)OC)c2C(=O)OC)cc1
InChIInChI=1S/C22H23N3O4/c1-5-24(2)16-13-11-15(12-14-16)19-18(21(26)28-3)20(22(27)29-4)25(23-19)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3
InChIKeyCNQQWSCYLXWHET-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.57
Rot. Bonds6

About dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate

dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate (PubChem CID 169388728) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
PubChem CID169388728
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namedimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
SMILESCCN(C)c1ccc(-c2nn(-c3ccccc3)c(C(=O)OC)c2C(=O)OC)cc1
InChIInChI=1S/C22H23N3O4/c1-5-24(2)16-13-11-15(12-14-16)19-18(21(26)28-3)20(22(27)29-4)25(23-19)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3
InChIKeyCNQQWSCYLXWHET-UHFFFAOYSA-N
XLogP3.57
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 3-[4-(N,4-dimethylanilino)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389591
dimethyl 3-[4-(4-cyano-N-methylanilino)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389589
dimethyl 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388581
dimethyl 3-[4-(difluoromethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169390044
dimethyl 3-(4-acetyloxyphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169387423
dimethyl 3-(4-hexoxyphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169387570
dimethyl 3-[3-[(dimethylamino)methyl]-4-methoxyphenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389216
dimethyl 3-(4-octoxyphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169387473
dimethyl 1-phenyl-3-(3-pyrrol-1-ylphenyl)pyrazole-4,5-dicarboxylate
CID 169389848
dimethyl 3-[4-(3,4-dichlorophenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389872
dimethyl 3-[4-(2-chlorophenoxy)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388413
dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388048

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate (CID 169388728) is dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate is CCN(C)c1ccc(-c2nn(-c3ccccc3)c(C(=O)OC)c2C(=O)OC)cc1.
What is the InChIKey of dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate?
The InChIKey is CNQQWSCYLXWHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-5-24(2)16-13-11-15(12-14-16)19-18(21(26)28-3)20(22(27)29-4)25(23-19)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3.
What are the key properties of dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate?
dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate is sourced from PubChem (CID 169388728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).