methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate

C18H16N2O2 — CID 134811648

IUPACmethyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)C(C)=NN=C1c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-13-18(17(21)22-2,15-11-7-4-8-12-15)16(20-19-13)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKeyFNVCVFOMJOKIGP-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.98
Rot. Bonds3

About methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate

methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate (PubChem CID 134811648) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate
PubChem CID134811648
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namemethyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)C(C)=NN=C1c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-13-18(17(21)22-2,15-11-7-4-8-12-15)16(20-19-13)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKeyFNVCVFOMJOKIGP-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2E)-2-methoxyimino-2-[2-[(1E,3E)-4-[2-(trifluoromethyl)phenyl]buta-1,3-dienyl]phenyl]acetate
CID 44368851
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
methyl (2E)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetate
CID 44368959
3,4-diphenyl-5(4H)-isoxazolone
CID 12486396
Methyl 2-([1,1'-biphenyl]-4-yl)-2-diazoacetate
CID 101156966
Methyl 2-diazo-2-[2-(3-fluorophenyl)phenyl]acetate
CID 101809639
Methyl 2-diazo-2-[2-[3-(trifluoromethyl)phenyl]phenyl]acetate
CID 101809646
Methyl 2-diazo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 139254066
4-Fluoro-3,4-diphenyl-1,2-oxazol-5-one
CID 176438624
4-(4-fluorophenyl)-3-phenyl-4H-1,2-oxazol-5-one
CID 176438628
Methyl 2-diazo-2-(3'-fluoro-[1,1'-biphenyl]-4-yl)acetate
CID 176522394
Methyl 2-diazo-2-(2',4'-difluoro-[1,1'-biphenyl]-3-yl)acetate
CID 176522399

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate (CID 134811648) is methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate is COC(=O)C1(c2ccccc2)C(C)=NN=C1c1ccccc1.
What is the InChIKey of methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate?
The InChIKey is FNVCVFOMJOKIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-18(17(21)22-2,15-11-7-4-8-12-15)16(20-19-13)14-9-5-3-6-10-14/h3-12H,1-2H3.
What are the key properties of methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate?
methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4,5-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 134811648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).