1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole

C22H14Cl2N2O — CID 57338227

IUPAC1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole
SMILESClc1ccc(C2Oc3ccccc3-c3c2cnn3-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H14Cl2N2O/c23-15-7-5-14(6-8-15)22-19-13-25-26(17-11-9-16(24)10-12-17)21(19)18-3-1-2-4-20(18)27-22/h1-13,22H
InChIKeySFNKIXVMIJHBCR-UHFFFAOYSA-N
MW393.27 g/mol
LogP6.33
Rot. Bonds2

About 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole

1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole (PubChem CID 57338227) has the molecular formula C22H14Cl2N2O and a molecular weight of 393.27 g/mol. Its IUPAC name is 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole
PubChem CID57338227
Molecular FormulaC22H14Cl2N2O
Molecular Weight393.27 g/mol
Exact Mass392.05
IUPAC Name1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole
SMILESClc1ccc(C2Oc3ccccc3-c3c2cnn3-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H14Cl2N2O/c23-15-7-5-14(6-8-15)22-19-13-25-26(17-11-9-16(24)10-12-17)21(19)18-3-1-2-4-20(18)27-22/h1-13,22H
InChIKeySFNKIXVMIJHBCR-UHFFFAOYSA-N
XLogP6.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-3-phenyl-13-oxa-3,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
CID 11405222
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
CID 136810611
2-cyano-N-methyl-3-oxo-3-(1-phenyl-4H-chromeno[3,4-d]pyrazol-4-yl)propanamide
CID 88522295
methyl 2-(4-chlorophenyl)-4-hydroxy-2H-chromene-3-carboxylate
CID 102581326
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 78294875
4-(4-methylphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
CID 133064282
11-(4-bromophenyl)-9-(4-chlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 5160877
9-(4-bromophenyl)-11-(4-chlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 5210963
(9R,11S)-9-(4-bromophenyl)-11-(4-chlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 136667576
1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
CID 15365439

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole?
The IUPAC name of 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole (CID 57338227) is 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole.
What is the SMILES notation for 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole?
The canonical SMILES for 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole is Clc1ccc(C2Oc3ccccc3-c3c2cnn3-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole?
The InChIKey is SFNKIXVMIJHBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O/c23-15-7-5-14(6-8-15)22-19-13-25-26(17-11-9-16(24)10-12-17)21(19)18-3-1-2-4-20(18)27-22/h1-13,22H.
What are the key properties of 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole?
1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole has a molecular weight of 393.27 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole is sourced from PubChem (CID 57338227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).