[3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate

C7H5F5N2O2 — CID 91115249

IUPAC[3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate
SMILESCn1nc(C(F)F)c(C(F)(F)F)c1OC=O
InChIInChI=1S/C7H5F5N2O2/c1-14-6(16-2-15)3(7(10,11)12)4(13-14)5(8)9/h2,5H,1H3
InChIKeyDGUOJDDROYCFRF-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.91
Rot. Bonds3

About [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate

[3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate (PubChem CID 91115249) has the molecular formula C7H5F5N2O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate
PubChem CID91115249
Molecular FormulaC7H5F5N2O2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name[3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate
SMILESCn1nc(C(F)F)c(C(F)(F)F)c1OC=O
InChIInChI=1S/C7H5F5N2O2/c1-14-6(16-2-15)3(7(10,11)12)4(13-14)5(8)9/h2,5H,1H3
InChIKeyDGUOJDDROYCFRF-UHFFFAOYSA-N
XLogP1.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.91
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

[1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl] formate
CID 90867102
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate
CID 143747958
5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole
CID 142448860
1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 28875390
6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118814688
[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl] formate
CID 91152344
3-(difluoromethyl)-5-(3-ethyl-4-fluorophenoxy)-1-methylpyrazole-4-carbaldehyde
CID 156788464
5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082471
ethyl 3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxylate
CID 56926832
(4-chloro-1-methylpyrazol-5-yl) formate
CID 174371398
ethyl 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 56926831
3-(difluoromethyl)-N-[(1S)-1-[4-(1-hydroxy-2-oxoethyl)cyclohexa-2,4-dien-1-yl]ethyl]-1-methyl-5-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrazole-4-carboxamide
CID 162543191

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate?
The IUPAC name of [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate (CID 91115249) is [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate.
What is the SMILES notation for [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate?
The canonical SMILES for [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate is Cn1nc(C(F)F)c(C(F)(F)F)c1OC=O.
What is the InChIKey of [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate?
The InChIKey is DGUOJDDROYCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2/c1-14-6(16-2-15)3(7(10,11)12)4(13-14)5(8)9/h2,5H,1H3.
What are the key properties of [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate?
[3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate has a molecular weight of 244.12 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl] formate is sourced from PubChem (CID 91115249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).