2-(3-methylpyrazol-1-yl)acetic acid

C6H8N2O2 — CID 5012329

IUPAC2-(3-methylpyrazol-1-yl)acetic acid
SMILESCc1ccn(CC(=O)O)n1
InChIInChI=1S/C6H8N2O2/c1-5-2-3-8(7-5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChIKeyJZWDFOAFMVOQKR-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.28
Rot. Bonds2

About 2-(3-methylpyrazol-1-yl)acetic acid

2-(3-methylpyrazol-1-yl)acetic acid (PubChem CID 5012329) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)acetic acid
PubChem CID5012329
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(3-methylpyrazol-1-yl)acetic acid
SMILESCc1ccn(CC(=O)O)n1
InChIInChI=1S/C6H8N2O2/c1-5-2-3-8(7-5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChIKeyJZWDFOAFMVOQKR-UHFFFAOYSA-N
XLogP0.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3-methylpyrazol-1-yl)acetic acid (CID 5012329) is 2-(3-methylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)acetic acid is Cc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)acetic acid?
The InChIKey is JZWDFOAFMVOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5-2-3-8(7-5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of 2-(3-methylpyrazol-1-yl)acetic acid?
2-(3-methylpyrazol-1-yl)acetic acid has a molecular weight of 140.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 5012329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).