2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid

C7H9F2N3O2 — CID 154882073

IUPAC2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid
SMILESCc1nn(C(F)F)cc1NCC(=O)O
InChIInChI=1S/C7H9F2N3O2/c1-4-5(10-2-6(13)14)3-12(11-4)7(8)9/h3,7,10H,2H2,1H3,(H,13,14)
InChIKeyFGHSPIYAJPFSBX-UHFFFAOYSA-N
MW205.16 g/mol
LogP1.08
Rot. Bonds4

About 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid

2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid (PubChem CID 154882073) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid
PubChem CID154882073
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid
SMILESCc1nn(C(F)F)cc1NCC(=O)O
InChIInChI=1S/C7H9F2N3O2/c1-4-5(10-2-6(13)14)3-12(11-4)7(8)9/h3,7,10H,2H2,1H3,(H,13,14)
InChIKeyFGHSPIYAJPFSBX-UHFFFAOYSA-N
XLogP1.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid (CID 154882073) is 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid is Cc1nn(C(F)F)cc1NCC(=O)O.
What is the InChIKey of 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid?
The InChIKey is FGHSPIYAJPFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-4-5(10-2-6(13)14)3-12(11-4)7(8)9/h3,7,10H,2H2,1H3,(H,13,14).
What are the key properties of 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid?
2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid has a molecular weight of 205.16 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid is sourced from PubChem (CID 154882073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).