2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid

C14H15N3O4 — CID 115463289

IUPAC2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
SMILESNc1cnn(CC(=O)OCc2ccccc2CC(=O)O)c1
InChIInChI=1S/C14H15N3O4/c15-12-6-16-17(7-12)8-14(20)21-9-11-4-2-1-3-10(11)5-13(18)19/h1-4,6-7H,5,8-9,15H2,(H,18,19)
InChIKeyVUWFKTGFEBVNTL-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.84
Rot. Bonds6

About 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid

2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid (PubChem CID 115463289) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
PubChem CID115463289
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
SMILESNc1cnn(CC(=O)OCc2ccccc2CC(=O)O)c1
InChIInChI=1S/C14H15N3O4/c15-12-6-16-17(7-12)8-14(20)21-9-11-4-2-1-3-10(11)5-13(18)19/h1-4,6-7H,5,8-9,15H2,(H,18,19)
InChIKeyVUWFKTGFEBVNTL-UHFFFAOYSA-N
XLogP0.84
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid (CID 115463289) is 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid is Nc1cnn(CC(=O)OCc2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid?
The InChIKey is VUWFKTGFEBVNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c15-12-6-16-17(7-12)8-14(20)21-9-11-4-2-1-3-10(11)5-13(18)19/h1-4,6-7H,5,8-9,15H2,(H,18,19).
What are the key properties of 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid?
2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid is sourced from PubChem (CID 115463289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).