2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid

C8H10N2O3 — CID 82407932

IUPAC2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c2c1COCC2
InChIInChI=1S/C8H10N2O3/c11-8(12)3-7-5-4-13-2-1-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKeyASFLMTDDRGAYMS-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.11
Rot. Bonds2

About 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid

2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid (PubChem CID 82407932) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
PubChem CID82407932
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c2c1COCC2
InChIInChI=1S/C8H10N2O3/c11-8(12)3-7-5-4-13-2-1-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKeyASFLMTDDRGAYMS-UHFFFAOYSA-N
XLogP0.11
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-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 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid (CID 82407932) is 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid is O=C(O)Cc1n[nH]c2c1COCC2.
What is the InChIKey of 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid?
The InChIKey is ASFLMTDDRGAYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-8(12)3-7-5-4-13-2-1-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid?
2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 82407932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).