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

C17H14N2O2 — CID 133064301

IUPAC4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCOc1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1
InChIInChI=1S/C17H14N2O2/c1-20-12-8-6-11(7-9-12)17-14-10-18-19-16(14)13-4-2-3-5-15(13)21-17/h2-10,17H,1H3,(H,18,19)
InChIKeyOSQJOKGMSPHEIW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.57
Rot. Bonds2

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

4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 133064301) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID133064301
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCOc1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1
InChIInChI=1S/C17H14N2O2/c1-20-12-8-6-11(7-9-12)17-14-10-18-19-16(14)13-4-2-3-5-15(13)21-17/h2-10,17H,1H3,(H,18,19)
InChIKeyOSQJOKGMSPHEIW-UHFFFAOYSA-N
XLogP3.57
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
CID 133064282
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 162645614
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 35957655
4-methoxy-2-(4-methoxyphenyl)-2H-chromene
CID 154356806
(1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol
CID 102105033
(9S,11R)-9,11-bis(4-methoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 1109722
N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine
CID 135002275
(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 94052387
(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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole (CID 133064301) is 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole is COc1ccc(C2Oc3ccccc3-c3[nH]ncc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is OSQJOKGMSPHEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-20-12-8-6-11(7-9-12)17-14-10-18-19-16(14)13-4-2-3-5-15(13)21-17/h2-10,17H,1H3,(H,18,19).
What are the key properties of 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole?
4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 278.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 133064301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).