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

C11H16N2O3 — CID 83858821

IUPAC3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
SMILESCC(C)C(C(=O)O)c1n[nH]c2c1COCC2
InChIInChI=1S/C11H16N2O3/c1-6(2)9(11(14)15)10-7-5-16-4-3-8(7)12-13-10/h6,9H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZICYWAQEDJXNGV-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.31
Rot. Bonds3

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

3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid (PubChem CID 83858821) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
PubChem CID83858821
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
SMILESCC(C)C(C(=O)O)c1n[nH]c2c1COCC2
InChIInChI=1S/C11H16N2O3/c1-6(2)9(11(14)15)10-7-5-16-4-3-8(7)12-13-10/h6,9H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZICYWAQEDJXNGV-UHFFFAOYSA-N
XLogP1.31
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 21258060
3-(Methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71222975
Ethyl 7-methyl-3-propan-2-yl-2,4,5,6-tetrahydroindazole-7-carboxylate
CID 146330889
2-[3-(oxolan-3-yl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]acetic acid
CID 82382832
3-(1,4,5,7-Tetrahydropyrano[4,3-d]pyrazol-3-yl)propanoic acid
CID 82399778
2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 82407932
4-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
CID 83858814
1-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one
CID 83858817
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one
CID 83858818
2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 83858819
2-Methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 83858820
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
CID 83858831

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid (CID 83858821) is 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid is CC(C)C(C(=O)O)c1n[nH]c2c1COCC2.
What is the InChIKey of 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The InChIKey is ZICYWAQEDJXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)9(11(14)15)10-7-5-16-4-3-8(7)12-13-10/h6,9H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).