2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid

C7H8F2N2O2 — CID 50896706

IUPAC2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(CC(F)F)n1
InChIInChI=1S/C7H8F2N2O2/c8-6(9)4-11-2-1-5(10-11)3-7(12)13/h1-2,6H,3-4H2,(H,12,13)
InChIKeyAWWDKHSPNKPQOM-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.78
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid

2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid (PubChem CID 50896706) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid
PubChem CID50896706
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(CC(F)F)n1
InChIInChI=1S/C7H8F2N2O2/c8-6(9)4-11-2-1-5(10-11)3-7(12)13/h1-2,6H,3-4H2,(H,12,13)
InChIKeyAWWDKHSPNKPQOM-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid (CID 50896706) is 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid is O=C(O)Cc1ccn(CC(F)F)n1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid?
The InChIKey is AWWDKHSPNKPQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-6(9)4-11-2-1-5(10-11)3-7(12)13/h1-2,6H,3-4H2,(H,12,13).
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid?
2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid has a molecular weight of 190.15 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 50896706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).