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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Related Compounds

4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
CID 133064301
8-methyl-6-phenyl-6H-benzo[c]chromene
CID 90278645
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
[4-ethoxy-2-(4-methylphenyl)-2H-chromen-3-yl]methyl-dimethylazanium chloride
CID 17037786
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(1R,9R)-17-(4-methylphenyl)-8-oxa-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene
CID 139037249
1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole
CID 57338227
(4R)-4-(4-methylphenyl)-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 102102384
(9R,11S)-9-(4-methoxyphenyl)-11-(4-methylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 136667596
7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile
CID 102043902
(9R,11S)-11-(4-methylphenyl)-14-methylsulfanyl-9-(4-methylsulfanylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 136752717
11-(4-methylphenyl)-14-methylsulfanyl-9-(4-methylsulfanylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 3704638

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).