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

C23H18N2O — CID 163359911

IUPAC3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCc1ccc(-c2n[nH]c3c2C(c2ccccc2)Oc2ccccc2-3)cc1
InChIInChI=1S/C23H18N2O/c1-15-11-13-16(14-12-15)21-20-22(25-24-21)18-9-5-6-10-19(18)26-23(20)17-7-3-2-4-8-17/h2-14,23H,1H3,(H,24,25)
InChIKeyVPHDGWZYEHHJSM-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.53
Rot. Bonds2

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

3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 163359911) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID163359911
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCc1ccc(-c2n[nH]c3c2C(c2ccccc2)Oc2ccccc2-3)cc1
InChIInChI=1S/C23H18N2O/c1-15-11-13-16(14-12-15)21-20-22(25-24-21)18-9-5-6-10-19(18)26-23(20)17-7-3-2-4-8-17/h2-14,23H,1H3,(H,24,25)
InChIKeyVPHDGWZYEHHJSM-UHFFFAOYSA-N
XLogP5.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
15,17-Diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134132482
17-(4-Methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134147264
17-(4-Methylphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134157669
5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole
CID 23656797
(1)Benzopyrano(4,3-c)pyrazole, 2,4-dihydro-3-phenyl-
CID 1236282
2-(7-isopropyl-4-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenyl methyl ether
CID 6544462
3-(2-methoxyphenyl)-5-(2-phenylphenyl)-1H-pyrazole
CID 46888112
4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline
CID 46888031
4,5,6,7-tetrahydro-3-(4-methoxyphenyl)-1H-indazole
CID 94040
3,5-dimethyl-4-[3-(2-methylphenoxy)propyl]-1H-pyrazole
CID 2058921
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-9-methyl-3-(4-methylphenyl)-
CID 3079086

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (CID 163359911) is 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is Cc1ccc(-c2n[nH]c3c2C(c2ccccc2)Oc2ccccc2-3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is VPHDGWZYEHHJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-15-11-13-16(14-12-15)21-20-22(25-24-21)18-9-5-6-10-19(18)26-23(20)17-7-3-2-4-8-17/h2-14,23H,1H3,(H,24,25).
What are the key properties of 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 338.41 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 163359911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).