[(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate

C11H15FN4O3 — CID 175037383

IUPAC[(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate
SMILESCN(C)C(=O)c1cnn(C/C(=C\F)COC(N)=O)c1
InChIInChI=1S/C11H15FN4O3/c1-15(2)10(17)9-4-14-16(6-9)5-8(3-12)7-19-11(13)18/h3-4,6H,5,7H2,1-2H3,(H2,13,18)/b8-3+
InChIKeyGIUWTGDOWGDBBF-FPYGCLRLSA-N
MW270.26 g/mol
LogP0.53
Rot. Bonds5

About [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate

[(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate (PubChem CID 175037383) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate.

Molecular Properties

Compound Name[(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate
PubChem CID175037383
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name[(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate
SMILESCN(C)C(=O)c1cnn(C/C(=C\F)COC(N)=O)c1
InChIInChI=1S/C11H15FN4O3/c1-15(2)10(17)9-4-14-16(6-9)5-8(3-12)7-19-11(13)18/h3-4,6H,5,7H2,1-2H3,(H2,13,18)/b8-3+
InChIKeyGIUWTGDOWGDBBF-FPYGCLRLSA-N
XLogP0.53
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate?
The IUPAC name of [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate (CID 175037383) is [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate.
What is the SMILES notation for [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate?
The canonical SMILES for [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate is CN(C)C(=O)c1cnn(C/C(=C\F)COC(N)=O)c1.
What is the InChIKey of [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate?
The InChIKey is GIUWTGDOWGDBBF-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H15FN4O3/c1-15(2)10(17)9-4-14-16(6-9)5-8(3-12)7-19-11(13)18/h3-4,6H,5,7H2,1-2H3,(H2,13,18)/b8-3+.
What are the key properties of [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate?
[(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate has a molecular weight of 270.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[[4-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate is sourced from PubChem (CID 175037383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).