1,3-diphenyl-4H-chromeno[3,4-d]pyrazole

C22H16N2O — CID 12698522

IUPAC1,3-diphenyl-4H-chromeno[3,4-d]pyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H16N2O/c1-3-9-16(10-4-1)21-19-15-25-20-14-8-7-13-18(20)22(19)24(23-21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyIIXJMXYXHBNAKO-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.10
Rot. Bonds2

About 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole

1,3-diphenyl-4H-chromeno[3,4-d]pyrazole (PubChem CID 12698522) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name1,3-diphenyl-4H-chromeno[3,4-d]pyrazole
PubChem CID12698522
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name1,3-diphenyl-4H-chromeno[3,4-d]pyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2COc2ccccc2-3)cc1
InChIInChI=1S/C22H16N2O/c1-3-9-16(10-4-1)21-19-15-25-20-14-8-7-13-18(20)22(19)24(23-21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyIIXJMXYXHBNAKO-UHFFFAOYSA-N
XLogP5.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,3-diphenyl-4,5-dihydrobenzo[g]indazole
CID 12713181
1-phenyl-4H-chromeno[3,4-d]triazole
CID 57387758
1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazole
CID 19429550
1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole
CID 71375820
2,4-diphenyl-5H-chromeno[4,3-b]pyridine
CID 5096779
1-phenyl-5H-chromeno[4,3-b]pyridin-2-one
CID 102268403
8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 58859508
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
1,3,5-triphenyl-4-pyrazol-1-ylpyrazole
CID 57355521
3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
CID 137133397
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole?
The IUPAC name of 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole (CID 12698522) is 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole.
What is the SMILES notation for 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole?
The canonical SMILES for 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole is c1ccc(-c2nn(-c3ccccc3)c3c2COc2ccccc2-3)cc1.
What is the InChIKey of 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole?
The InChIKey is IIXJMXYXHBNAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-3-9-16(10-4-1)21-19-15-25-20-14-8-7-13-18(20)22(19)24(23-21)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole?
1,3-diphenyl-4H-chromeno[3,4-d]pyrazole has a molecular weight of 324.38 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-4H-chromeno[3,4-d]pyrazole is sourced from PubChem (CID 12698522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).