4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid

C9H12N2O3 — CID 140764668

IUPAC4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid
SMILESCC1(C)OCCc2[nH]nc(C(=O)O)c21
InChIInChI=1S/C9H12N2O3/c1-9(2)6-5(3-4-14-9)10-11-7(6)8(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFPGILRGITDXJRB-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.92
Rot. Bonds1

About 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid

4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 140764668) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid
PubChem CID140764668
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid
SMILESCC1(C)OCCc2[nH]nc(C(=O)O)c21
InChIInChI=1S/C9H12N2O3/c1-9(2)6-5(3-4-14-9)10-11-7(6)8(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFPGILRGITDXJRB-UHFFFAOYSA-N
XLogP0.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid (CID 140764668) is 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid is CC1(C)OCCc2[nH]nc(C(=O)O)c21.
What is the InChIKey of 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is FPGILRGITDXJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2)6-5(3-4-14-9)10-11-7(6)8(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 140764668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).