2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid

C8H10N2O3 — CID 83680022

IUPAC2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
SMILESCn1nc2c(c1C(=O)O)COCC2
InChIInChI=1S/C8H10N2O3/c1-10-7(8(11)12)5-4-13-3-2-6(5)9-10/h2-4H2,1H3,(H,11,12)
InChIKeyZGDBTZNBKHQCPL-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.19
Rot. Bonds1

About 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid

2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 83680022) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
PubChem CID83680022
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
SMILESCn1nc2c(c1C(=O)O)COCC2
InChIInChI=1S/C8H10N2O3/c1-10-7(8(11)12)5-4-13-3-2-6(5)9-10/h2-4H2,1H3,(H,11,12)
InChIKeyZGDBTZNBKHQCPL-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid (CID 83680022) is 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid is Cn1nc2c(c1C(=O)O)COCC2.
What is the InChIKey of 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is ZGDBTZNBKHQCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-7(8(11)12)5-4-13-3-2-6(5)9-10/h2-4H2,1H3,(H,11,12).
What are the key properties of 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 83680022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).