methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate

C19H20N2O3 — CID 11472785

IUPACmethyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate
SMILESCOC(=O)C1(C)CC(c2ccc(OC)cc2)=NN1c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-19(18(22)24-3)13-17(14-9-11-16(23-2)12-10-14)20-21(19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
InChIKeyMUYSLLBGVNWQOY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.24
Rot. Bonds4

About methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate

methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate (PubChem CID 11472785) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate
PubChem CID11472785
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate
SMILESCOC(=O)C1(C)CC(c2ccc(OC)cc2)=NN1c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-19(18(22)24-3)13-17(14-9-11-16(23-2)12-10-14)20-21(19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
InChIKeyMUYSLLBGVNWQOY-UHFFFAOYSA-N
XLogP3.24
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate
CID 11523453
4-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]benzenesulfonamide
CID 122189266
5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 101435165
(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 7374228
5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 3124415
3-(4-bromophenyl)-8-methoxy-1-phenyl-1,2-diazaspiro[4.5]deca-2,7-dien-6-one
CID 53356048
[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol
CID 72734788
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 5068422
methyl (5R)-5-[(R)-(1,3-dioxoisoindol-2-yl)-phenylmethyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 44607058
methyl 2-benzoyl-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylate
CID 134100204
1-[(5R)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanone
CID 39347514
dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 132990625

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate (CID 11472785) is methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate is COC(=O)C1(C)CC(c2ccc(OC)cc2)=NN1c1ccccc1.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate?
The InChIKey is MUYSLLBGVNWQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(18(22)24-3)13-17(14-9-11-16(23-2)12-10-14)20-21(19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3.
What are the key properties of methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate?
methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate is sourced from PubChem (CID 11472785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).