2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid

C9H12N2O3 — CID 83862716

IUPAC2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid
SMILESCn1nc2c(c1CC(=O)O)COCC2
InChIInChI=1S/C9H12N2O3/c1-11-8(4-9(12)13)6-5-14-3-2-7(6)10-11/h2-5H2,1H3,(H,12,13)
InChIKeyAXYURDBNNCNLSJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.12
Rot. Bonds2

About 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid

2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid (PubChem CID 83862716) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid
PubChem CID83862716
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid
SMILESCn1nc2c(c1CC(=O)O)COCC2
InChIInChI=1S/C9H12N2O3/c1-11-8(4-9(12)13)6-5-14-3-2-7(6)10-11/h2-5H2,1H3,(H,12,13)
InChIKeyAXYURDBNNCNLSJ-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid (CID 83862716) is 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid is Cn1nc2c(c1CC(=O)O)COCC2.
What is the InChIKey of 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid?
The InChIKey is AXYURDBNNCNLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-8(4-9(12)13)6-5-14-3-2-7(6)10-11/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid?
2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 83862716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).