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

C8H14N2O2 — CID 145496952

IUPACethane;2-(3-methylpyrazol-1-yl)acetic acid
SMILESCC.Cc1ccn(CC(=O)O)n1
InChIInChI=1S/C6H8N2O2.C2H6/c1-5-2-3-8(7-5)4-6(9)10;1-2/h2-3H,4H2,1H3,(H,9,10);1-2H3
InChIKeyVDBQGAYOOMGMQU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.30
Rot. Bonds2

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

ethane;2-(3-methylpyrazol-1-yl)acetic acid (PubChem CID 145496952) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethane;2-(3-methylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-(3-methylpyrazol-1-yl)acetic acid
PubChem CID145496952
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethane;2-(3-methylpyrazol-1-yl)acetic acid
SMILESCC.Cc1ccn(CC(=O)O)n1
InChIInChI=1S/C6H8N2O2.C2H6/c1-5-2-3-8(7-5)4-6(9)10;1-2/h2-3H,4H2,1H3,(H,9,10);1-2H3
InChIKeyVDBQGAYOOMGMQU-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-(3-methylpyrazol-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylpyrazol-1-yl)acetic acid?
The IUPAC name of ethane;2-(3-methylpyrazol-1-yl)acetic acid (CID 145496952) is ethane;2-(3-methylpyrazol-1-yl)acetic acid.
What is the SMILES notation for ethane;2-(3-methylpyrazol-1-yl)acetic acid?
The canonical SMILES for ethane;2-(3-methylpyrazol-1-yl)acetic acid is CC.Cc1ccn(CC(=O)O)n1.
What is the InChIKey of ethane;2-(3-methylpyrazol-1-yl)acetic acid?
The InChIKey is VDBQGAYOOMGMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C2H6/c1-5-2-3-8(7-5)4-6(9)10;1-2/h2-3H,4H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;2-(3-methylpyrazol-1-yl)acetic acid?
ethane;2-(3-methylpyrazol-1-yl)acetic acid has a molecular weight of 170.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 145496952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).