2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid

C7H8F2N2O2 — CID 4175028

IUPAC2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(C(F)F)n(CC(=O)O)n1
InChIInChI=1S/C7H8F2N2O2/c1-4-2-5(7(8)9)11(10-4)3-6(12)13/h2,7H,3H2,1H3,(H,12,13)
InChIKeyGTLVEURABDVIGB-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.21
Rot. Bonds3

About 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid (PubChem CID 4175028) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid
PubChem CID4175028
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(C(F)F)n(CC(=O)O)n1
InChIInChI=1S/C7H8F2N2O2/c1-4-2-5(7(8)9)11(10-4)3-6(12)13/h2,7H,3H2,1H3,(H,12,13)
InChIKeyGTLVEURABDVIGB-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid (CID 4175028) is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid is Cc1cc(C(F)F)n(CC(=O)O)n1.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid?
The InChIKey is GTLVEURABDVIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-4-2-5(7(8)9)11(10-4)3-6(12)13/h2,7H,3H2,1H3,(H,12,13).
What are the key properties of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid?
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid has a molecular weight of 190.15 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 4175028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).