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

C7H10FN3O2 — CID 84660868

IUPAC2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid
SMILESNC(C(=O)O)c1ccnn1CCF
InChIInChI=1S/C7H10FN3O2/c8-2-4-11-5(1-3-10-11)6(9)7(12)13/h1,3,6H,2,4,9H2,(H,12,13)
InChIKeyIFZODPNOFGWERG-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.06
Rot. Bonds4

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

2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid (PubChem CID 84660868) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid
PubChem CID84660868
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid
SMILESNC(C(=O)O)c1ccnn1CCF
InChIInChI=1S/C7H10FN3O2/c8-2-4-11-5(1-3-10-11)6(9)7(12)13/h1,3,6H,2,4,9H2,(H,12,13)
InChIKeyIFZODPNOFGWERG-UHFFFAOYSA-N
XLogP-0.06
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid (CID 84660868) is 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid is NC(C(=O)O)c1ccnn1CCF.
What is the InChIKey of 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid?
The InChIKey is IFZODPNOFGWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c8-2-4-11-5(1-3-10-11)6(9)7(12)13/h1,3,6H,2,4,9H2,(H,12,13).
What are the key properties of 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid?
2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid has a molecular weight of 187.17 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 84660868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).