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

C15H16N2O3 — CID 61295672

IUPAC1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
SMILESCCc1cccc(-n2nc(C(=O)O)c3c2CCOC3)c1
InChIInChI=1S/C15H16N2O3/c1-2-10-4-3-5-11(8-10)17-13-6-7-20-9-12(13)14(16-17)15(18)19/h3-5,8H,2,6-7,9H2,1H3,(H,18,19)
InChIKeyZQHQZNBQQGIUSO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.21
Rot. Bonds3

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

1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 61295672) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
PubChem CID61295672
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
SMILESCCc1cccc(-n2nc(C(=O)O)c3c2CCOC3)c1
InChIInChI=1S/C15H16N2O3/c1-2-10-4-3-5-11(8-10)17-13-6-7-20-9-12(13)14(16-17)15(18)19/h3-5,8H,2,6-7,9H2,1H3,(H,18,19)
InChIKeyZQHQZNBQQGIUSO-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid (CID 61295672) is 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid is CCc1cccc(-n2nc(C(=O)O)c3c2CCOC3)c1.
What is the InChIKey of 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is ZQHQZNBQQGIUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-10-4-3-5-11(8-10)17-13-6-7-20-9-12(13)14(16-17)15(18)19/h3-5,8H,2,6-7,9H2,1H3,(H,18,19).
What are the key properties of 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid?
1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 61295672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).