methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate

C15H17FN2O3 — CID 91711064

IUPACmethyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate
SMILESC=C(F)C1(C)CC(C(=O)OC)=NN1c1ccc(OC)cc1
InChIInChI=1S/C15H17FN2O3/c1-10(16)15(2)9-13(14(19)21-4)17-18(15)11-5-7-12(20-3)8-6-11/h5-8H,1,9H2,2-4H3
InChIKeyFLMBHNDYKCHTJT-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.68
Rot. Bonds4

About methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate

methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate (PubChem CID 91711064) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate
PubChem CID91711064
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Namemethyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate
SMILESC=C(F)C1(C)CC(C(=O)OC)=NN1c1ccc(OC)cc1
InChIInChI=1S/C15H17FN2O3/c1-10(16)15(2)9-13(14(19)21-4)17-18(15)11-5-7-12(20-3)8-6-11/h5-8H,1,9H2,2-4H3
InChIKeyFLMBHNDYKCHTJT-UHFFFAOYSA-N
XLogP2.68
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate?
The IUPAC name of methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate (CID 91711064) is methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate is C=C(F)C1(C)CC(C(=O)OC)=NN1c1ccc(OC)cc1.
What is the InChIKey of methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate?
The InChIKey is FLMBHNDYKCHTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-10(16)15(2)9-13(14(19)21-4)17-18(15)11-5-7-12(20-3)8-6-11/h5-8H,1,9H2,2-4H3.
What are the key properties of methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate?
methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-fluoroethenyl)-1-(4-methoxyphenyl)-5-methyl-4H-pyrazole-3-carboxylate is sourced from PubChem (CID 91711064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).