[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate

C9H10F3N3O2 — CID 3401703

IUPAC[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)Oc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C9H10F3N3O2/c1-3-4-13-8(16)17-7-5-6(9(10,11)12)15(2)14-7/h3,5H,1,4H2,2H3,(H,13,16)
InChIKeyYVPYVVPOVUHLIJ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.71
Rot. Bonds3

About [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate

[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate (PubChem CID 3401703) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate.

Molecular Properties

Compound Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate
PubChem CID3401703
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)Oc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C9H10F3N3O2/c1-3-4-13-8(16)17-7-5-6(9(10,11)12)15(2)14-7/h3,5H,1,4H2,2H3,(H,13,16)
InChIKeyYVPYVVPOVUHLIJ-UHFFFAOYSA-N
XLogP1.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Isolan
CID 8393
Carbamic acid, dimethyl-, 2-ethyl-5-methyl-3-pyrazolyl ester
CID 54031
6-Hydroxy-2-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-4-methylpyridine
CID 11140268
2-methyl-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1H-pyridazine
CID 19436782
[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl] formate
CID 87503442
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl] formate
CID 89727166
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl] hydrogen carbonate
CID 90333511
3-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2,5-dihydro-1,2-oxazole
CID 124014281
[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl] acetate
CID 152261131
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl] carbamate
CID 169777660
Tert-butyl 3-(difluoromethoxy)-5-methylpyrazole-1-carboxylate
CID 170700964
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl] piperidine-1-carboxylate
CID 174618310

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate?
The IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate (CID 3401703) is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate.
What is the SMILES notation for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate?
The canonical SMILES for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate is C=CCNC(=O)Oc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate?
The InChIKey is YVPYVVPOVUHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-3-4-13-8(16)17-7-5-6(9(10,11)12)15(2)14-7/h3,5H,1,4H2,2H3,(H,13,16).
What are the key properties of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate?
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate has a molecular weight of 249.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-prop-2-enylcarbamate is sourced from PubChem (CID 3401703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).