phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate

C18H16FN3O3 — CID 118148426

IUPACphenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
SMILESCCOc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1F
InChIInChI=1S/C18H16FN3O3/c1-2-24-17-15(19)16(22(21-17)13-9-5-3-6-10-13)20-18(23)25-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,23)
InChIKeyZMVDTQCBJQZJRZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.02
Rot. Bonds5

About phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate

phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate (PubChem CID 118148426) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
PubChem CID118148426
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Namephenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
SMILESCCOc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1F
InChIInChI=1S/C18H16FN3O3/c1-2-24-17-15(19)16(22(21-17)13-9-5-3-6-10-13)20-18(23)25-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,23)
InChIKeyZMVDTQCBJQZJRZ-UHFFFAOYSA-N
XLogP4.02
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate?
The IUPAC name of phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate (CID 118148426) is phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate is CCOc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1F.
What is the InChIKey of phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate?
The InChIKey is ZMVDTQCBJQZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-2-24-17-15(19)16(22(21-17)13-9-5-3-6-10-13)20-18(23)25-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,23).
What are the key properties of phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate?
phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate has a molecular weight of 341.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate is sourced from PubChem (CID 118148426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).