methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate

C17H14FN3O2 — CID 174337547

IUPACmethyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate
SMILESCOC(=O)N(c1ccccc1)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C17H14FN3O2/c1-23-17(22)21(13-6-3-2-4-7-13)14-8-9-16(15(18)12-14)20-11-5-10-19-20/h2-12H,1H3
InChIKeySTRPOCKHNNPYAF-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.92
Rot. Bonds3

About methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate

methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate (PubChem CID 174337547) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate
PubChem CID174337547
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namemethyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate
SMILESCOC(=O)N(c1ccccc1)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C17H14FN3O2/c1-23-17(22)21(13-6-3-2-4-7-13)14-8-9-16(15(18)12-14)20-11-5-10-19-20/h2-12H,1H3
InChIKeySTRPOCKHNNPYAF-UHFFFAOYSA-N
XLogP3.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate?
The IUPAC name of methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate (CID 174337547) is methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate.
What is the SMILES notation for methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate?
The canonical SMILES for methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate is COC(=O)N(c1ccccc1)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate?
The InChIKey is STRPOCKHNNPYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-17(22)21(13-6-3-2-4-7-13)14-8-9-16(15(18)12-14)20-11-5-10-19-20/h2-12H,1H3.
What are the key properties of methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate?
methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate has a molecular weight of 311.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate is sourced from PubChem (CID 174337547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).