2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid

C7H8F2N2O2 — CID 84719461

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid
SMILESCc1n[nH]c(C)c1C(F)(F)C(=O)O
InChIInChI=1S/C7H8F2N2O2/c1-3-5(4(2)11-10-3)7(8,9)6(12)13/h1-2H3,(H,10,11)(H,12,13)
InChIKeyYITZPJWAIGIUNK-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.20
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid

2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid (PubChem CID 84719461) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid
PubChem CID84719461
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid
SMILESCc1n[nH]c(C)c1C(F)(F)C(=O)O
InChIInChI=1S/C7H8F2N2O2/c1-3-5(4(2)11-10-3)7(8,9)6(12)13/h1-2H3,(H,10,11)(H,12,13)
InChIKeyYITZPJWAIGIUNK-UHFFFAOYSA-N
XLogP1.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid (CID 84719461) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid is Cc1n[nH]c(C)c1C(F)(F)C(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid?
The InChIKey is YITZPJWAIGIUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-3-5(4(2)11-10-3)7(8,9)6(12)13/h1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid has a molecular weight of 190.15 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 84719461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).