[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate

C6H5F3N2O2 — CID 143747958

IUPAC[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate
SMILESCn1nc(OC=O)cc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-5(10-11)13-3-12/h2-3H,1H3
InChIKeyLBMUXWWFBJQMPW-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.97
Rot. Bonds2

About [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate

[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate (PubChem CID 143747958) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate.

Molecular Properties

Compound Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate
PubChem CID143747958
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate
SMILESCn1nc(OC=O)cc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-5(10-11)13-3-12/h2-3H,1H3
InChIKeyLBMUXWWFBJQMPW-UHFFFAOYSA-N
XLogP0.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid
CID 2801295
3-fluoro-1-methyl-5-(trifluoromethyl)pyrazole
CID 59173012
3-bromo-1-methyl-5-(trifluoromethyl)pyrazole
CID 105486135
3-(3,4-dinitrophenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
CID 19775930
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
CID 2775667
[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl] formate
CID 91152344
N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 131121157
4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole
CID 155961553
4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]aniline
CID 89018490
6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde
CID 140527253
(1-methylpyrazol-3-yl) formate
CID 171606461
(1R)-1-[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-1,2,4-triazol-3-yl]ethanamine
CID 58499881

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate?
The IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate (CID 143747958) is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate.
What is the SMILES notation for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate?
The canonical SMILES for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate is Cn1nc(OC=O)cc1C(F)(F)F.
What is the InChIKey of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate?
The InChIKey is LBMUXWWFBJQMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-11-4(6(7,8)9)2-5(10-11)13-3-12/h2-3H,1H3.
What are the key properties of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate?
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate has a molecular weight of 194.11 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate is sourced from PubChem (CID 143747958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).