2-(4-methoxycarbonylpyrazol-1-yl)acetic acid

C7H8N2O4 — CID 19576734

IUPAC2-(4-methoxycarbonylpyrazol-1-yl)acetic acid
SMILESCOC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C7H8N2O4/c1-13-7(12)5-2-8-9(3-5)4-6(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyUEOSRBCHENJRND-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.25
Rot. Bonds3

About 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid

2-(4-methoxycarbonylpyrazol-1-yl)acetic acid (PubChem CID 19576734) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxycarbonylpyrazol-1-yl)acetic acid
PubChem CID19576734
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(4-methoxycarbonylpyrazol-1-yl)acetic acid
SMILESCOC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C7H8N2O4/c1-13-7(12)5-2-8-9(3-5)4-6(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyUEOSRBCHENJRND-UHFFFAOYSA-N
XLogP-0.25
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid (CID 19576734) is 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid is COC(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid?
The InChIKey is UEOSRBCHENJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-13-7(12)5-2-8-9(3-5)4-6(10)11/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid?
2-(4-methoxycarbonylpyrazol-1-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycarbonylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 19576734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).