3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide

C7H7F4N3O2 — CID 141357219

IUPAC3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide
SMILESNC(=O)C1(OCC(F)(F)C(F)F)C=CN=N1
InChIInChI=1S/C7H7F4N3O2/c8-4(9)6(10,11)3-16-7(5(12)15)1-2-13-14-7/h1-2,4H,3H2,(H2,12,15)
InChIKeyQEGOINTVAVGAQF-UHFFFAOYSA-N
MW241.14 g/mol
LogP1.06
Rot. Bonds5

About 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide

3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide (PubChem CID 141357219) has the molecular formula C7H7F4N3O2 and a molecular weight of 241.14 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide
PubChem CID141357219
Molecular FormulaC7H7F4N3O2
Molecular Weight241.14 g/mol
Exact Mass241.05
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide
SMILESNC(=O)C1(OCC(F)(F)C(F)F)C=CN=N1
InChIInChI=1S/C7H7F4N3O2/c8-4(9)6(10,11)3-16-7(5(12)15)1-2-13-14-7/h1-2,4H,3H2,(H2,12,15)
InChIKeyQEGOINTVAVGAQF-UHFFFAOYSA-N
XLogP1.06
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide (CID 141357219) is 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide is NC(=O)C1(OCC(F)(F)C(F)F)C=CN=N1.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide?
The InChIKey is QEGOINTVAVGAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O2/c8-4(9)6(10,11)3-16-7(5(12)15)1-2-13-14-7/h1-2,4H,3H2,(H2,12,15).
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide?
3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide has a molecular weight of 241.14 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)pyrazole-3-carboxamide is sourced from PubChem (CID 141357219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).