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

C6H7F2N3O2 — CID 141324767

IUPAC3-(2,2-difluoroethoxy)pyrazole-3-carboxamide
SMILESNC(=O)C1(OCC(F)F)C=CN=N1
InChIInChI=1S/C6H7F2N3O2/c7-4(8)3-13-6(5(9)12)1-2-10-11-6/h1-2,4H,3H2,(H2,9,12)
InChIKeyIBKIOGJYFDCJEY-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.43
Rot. Bonds4

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

3-(2,2-difluoroethoxy)pyrazole-3-carboxamide (PubChem CID 141324767) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)pyrazole-3-carboxamide
PubChem CID141324767
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name3-(2,2-difluoroethoxy)pyrazole-3-carboxamide
SMILESNC(=O)C1(OCC(F)F)C=CN=N1
InChIInChI=1S/C6H7F2N3O2/c7-4(8)3-13-6(5(9)12)1-2-10-11-6/h1-2,4H,3H2,(H2,9,12)
InChIKeyIBKIOGJYFDCJEY-UHFFFAOYSA-N
XLogP0.43
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide
CID 141331738
3-(2,2,3,3-Tetrafluoropropoxy)pyrazole-3-carboxamide
CID 141357219
(3-Carbamoylpyrazol-3-yl) 2,2,2-trifluoroacetate
CID 146279394
4-Chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide
CID 174699104
3-(1,2-Difluoroethoxy)pyrazole-3-carboxamide
CID 174742292
3-(2,2,2-Trifluoroethoxy)pyrazole-3-carboxamide
CID 174851025
3-Methoxypyrazole-3-carboxamide
CID 68003793
3-Ethoxypyrazole-3-carboxamide
CID 174963813

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide?
The IUPAC name of 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide (CID 141324767) is 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide is NC(=O)C1(OCC(F)F)C=CN=N1.
What is the InChIKey of 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide?
The InChIKey is IBKIOGJYFDCJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c7-4(8)3-13-6(5(9)12)1-2-10-11-6/h1-2,4H,3H2,(H2,9,12).
What are the key properties of 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide?
3-(2,2-difluoroethoxy)pyrazole-3-carboxamide has a molecular weight of 191.14 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)pyrazole-3-carboxamide is sourced from PubChem (CID 141324767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).