methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate

C18H16N2O2 — CID 134811626

IUPACmethyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate
SMILESC=C1C(C(=O)OC)=NNC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-13-16(17(21)22-2)19-20-18(13,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,20H,1H2,2H3
InChIKeyCNYGRUXIYFORDQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.62
Rot. Bonds3

About methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate

methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate (PubChem CID 134811626) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate
PubChem CID134811626
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namemethyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate
SMILESC=C1C(C(=O)OC)=NNC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-13-16(17(21)22-2)19-20-18(13,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,20H,1H2,2H3
InChIKeyCNYGRUXIYFORDQ-UHFFFAOYSA-N
XLogP2.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Carbethoxy-5-trifluoromethyl-5-(p-tolyl)-2-pyrazoline
CID 14874566
methyl 5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 272629
ethyl 5-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 67765909
Benzyl 5-phenyl-5-(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate
CID 170556216
Dimethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
CID 13017116
Ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate
CID 162418781
Pent-4-ynyl 5-methyl-5-phenyl-1,4-dihydropyrazole-3-carboxylate
CID 162419321
methyl 5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 272634
methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate
CID 272644
Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
CID 4575855
methyl 4,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 11834979
Methyl 2-(benzylhydrazinylidene)-2-phenylacetate
CID 88161249

Frequently Asked Questions

What is the IUPAC name of methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate?
The IUPAC name of methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate (CID 134811626) is methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate is C=C1C(C(=O)OC)=NNC1(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate?
The InChIKey is CNYGRUXIYFORDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-16(17(21)22-2)19-20-18(13,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,20H,1H2,2H3.
What are the key properties of methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate?
methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylidene-5,5-diphenyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 134811626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).