2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid

C7H8F2N2O2 — CID 62394682

IUPAC2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid
SMILESCCn1cc(C(F)(F)C(=O)O)cn1
InChIInChI=1S/C7H8F2N2O2/c1-2-11-4-5(3-10-11)7(8,9)6(12)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyPQUDPMBGABAPKO-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.08
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid

2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid (PubChem CID 62394682) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid
PubChem CID62394682
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid
SMILESCCn1cc(C(F)(F)C(=O)O)cn1
InChIInChI=1S/C7H8F2N2O2/c1-2-11-4-5(3-10-11)7(8,9)6(12)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyPQUDPMBGABAPKO-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)-2-oxoacetic acid
CID 24691719
2-(1-methyl-1H-pyrazol-4-yl)acetic acid
CID 28950344
2-amino-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
CID 43199894
2-(1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 61794143
methyl 2-(1-methyl-1H-pyrazol-4-yl)propanoate
CID 62395394
3-methyl-2-(1-methyl-1H-pyrazol-4-yl)butanoic acid
CID 62395396
2-(1-ethyl-1H-pyrazol-4-yl)-2-oxoacetic acid
CID 63812494
methyl 2-(1-methyl-1H-pyrazol-4-yl)acetate
CID 66826207
2-(1-(difluoromethyl)-1H-pyrazol-4-yl)acetic acid
CID 121256130
2-(1-ethyl-1H-pyrazol-4-yl)acetic acid
CID 61793171
2,2-difluoro-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
CID 62394497
2-(1-ethyl-1H-pyrazol-4-yl)-3-methylbutanoic acid
CID 62394873

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid (CID 62394682) is 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid is CCn1cc(C(F)(F)C(=O)O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid?
The InChIKey is PQUDPMBGABAPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-2-11-4-5(3-10-11)7(8,9)6(12)13/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid?
2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid has a molecular weight of 190.15 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 62394682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).