1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

C13H14N2O — CID 170067075

IUPAC1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCc1ccccc1-n1ncc2c1COCC2
InChIInChI=1S/C13H14N2O/c1-10-4-2-3-5-12(10)15-13-9-16-7-6-11(13)8-14-15/h2-5,8H,6-7,9H2,1H3
InChIKeyUGNUANGJFCGLCR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.25
Rot. Bonds1

About 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 170067075) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID170067075
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCc1ccccc1-n1ncc2c1COCC2
InChIInChI=1S/C13H14N2O/c1-10-4-2-3-5-12(10)15-13-9-16-7-6-11(13)8-14-15/h2-5,8H,6-7,9H2,1H3
InChIKeyUGNUANGJFCGLCR-UHFFFAOYSA-N
XLogP2.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 170067075) is 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is Cc1ccccc1-n1ncc2c1COCC2.
What is the InChIKey of 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is UGNUANGJFCGLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-4-2-3-5-12(10)15-13-9-16-7-6-11(13)8-14-15/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 214.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 170067075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).