4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole

C17H14N2O — CID 133064282

IUPAC4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCc1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1
InChIInChI=1S/C17H14N2O/c1-11-6-8-12(9-7-11)17-14-10-18-19-16(14)13-4-2-3-5-15(13)20-17/h2-10,17H,1H3,(H,18,19)
InChIKeyDTPKPSFGFYUZHE-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.87
Rot. Bonds1

About 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole

4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 133064282) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID133064282
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCc1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1
InChIInChI=1S/C17H14N2O/c1-11-6-8-12(9-7-11)17-14-10-18-19-16(14)13-4-2-3-5-15(13)20-17/h2-10,17H,1H3,(H,18,19)
InChIKeyDTPKPSFGFYUZHE-UHFFFAOYSA-N
XLogP3.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole (CID 133064282) is 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole is Cc1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is DTPKPSFGFYUZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-11-6-8-12(9-7-11)17-14-10-18-19-16(14)13-4-2-3-5-15(13)20-17/h2-10,17H,1H3,(H,18,19).
What are the key properties of 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole?
4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 262.31 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 133064282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).