(2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate

C18H15FN2O3 — CID 78866138

IUPAC(2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
SMILESCOc1ccccc1COC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C18H15FN2O3/c1-23-17-9-5-2-6-13(17)12-24-18(22)15-10-11-21(20-15)16-8-4-3-7-14(16)19/h2-11H,12H2,1H3
InChIKeyOACVDMRLWNXXDW-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.38
Rot. Bonds5

About (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate

(2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 78866138) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
PubChem CID78866138
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
SMILESCOc1ccccc1COC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C18H15FN2O3/c1-23-17-9-5-2-6-13(17)12-24-18(22)15-10-11-21(20-15)16-8-4-3-7-14(16)19/h2-11H,12H2,1H3
InChIKeyOACVDMRLWNXXDW-UHFFFAOYSA-N
XLogP3.38
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate (CID 78866138) is (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate is COc1ccccc1COC(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is OACVDMRLWNXXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-23-17-9-5-2-6-13(17)12-24-18(22)15-10-11-21(20-15)16-8-4-3-7-14(16)19/h2-11H,12H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate?
(2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 78866138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).