2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid

C8H10N2O3 — CID 112711092

IUPAC2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid
SMILESCn1nc2c(c1CC(=O)O)COC2
InChIInChI=1S/C8H10N2O3/c1-10-7(2-8(11)12)5-3-13-4-6(5)9-10/h2-4H2,1H3,(H,11,12)
InChIKeyQHHGNTJAZVAJKP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.08
Rot. Bonds2

About 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid

2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid (PubChem CID 112711092) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid
PubChem CID112711092
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid
SMILESCn1nc2c(c1CC(=O)O)COC2
InChIInChI=1S/C8H10N2O3/c1-10-7(2-8(11)12)5-3-13-4-6(5)9-10/h2-4H2,1H3,(H,11,12)
InChIKeyQHHGNTJAZVAJKP-UHFFFAOYSA-N
XLogP0.08
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid (CID 112711092) is 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid is Cn1nc2c(c1CC(=O)O)COC2.
What is the InChIKey of 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid?
The InChIKey is QHHGNTJAZVAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-7(2-8(11)12)5-3-13-4-6(5)9-10/h2-4H2,1H3,(H,11,12).
What are the key properties of 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid?
2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 112711092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).