2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid

C6H7F2N3O2 — CID 154882102

IUPAC2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid
SMILESO=C(O)CNc1ccnn1C(F)F
InChIInChI=1S/C6H7F2N3O2/c7-6(8)11-4(1-2-10-11)9-3-5(12)13/h1-2,6,9H,3H2,(H,12,13)
InChIKeyOAMJMQLQMHPZIO-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.77
Rot. Bonds4

About 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid

2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid (PubChem CID 154882102) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid
PubChem CID154882102
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid
SMILESO=C(O)CNc1ccnn1C(F)F
InChIInChI=1S/C6H7F2N3O2/c7-6(8)11-4(1-2-10-11)9-3-5(12)13/h1-2,6,9H,3H2,(H,12,13)
InChIKeyOAMJMQLQMHPZIO-UHFFFAOYSA-N
XLogP0.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid?
The IUPAC name of 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid (CID 154882102) is 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid is O=C(O)CNc1ccnn1C(F)F.
What is the InChIKey of 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid?
The InChIKey is OAMJMQLQMHPZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c7-6(8)11-4(1-2-10-11)9-3-5(12)13/h1-2,6,9H,3H2,(H,12,13).
What are the key properties of 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid?
2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid has a molecular weight of 191.14 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethyl)pyrazol-3-yl]amino]acetic acid is sourced from PubChem (CID 154882102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).