(2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one

C34H28N2O2 — CID 139194002

IUPAC(2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one
SMILESCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C(c1ccccc1)=C([C@@H](C)C(=O)c1ccccc1)O2
InChIInChI=1S/C34H28N2O2/c1-23(32(37)27-19-11-5-12-20-27)33-31(26-17-9-4-10-18-26)30(25-15-7-3-8-16-25)29-24(2)35-36(34(29)38-33)28-21-13-6-14-22-28/h3-23,30H,1-2H3/t23-,30+/m0/s1
InChIKeyCBZHGIZXZZTRIZ-YUDQIZAISA-N
MW496.61 g/mol
LogP7.64
Rot. Bonds6

About (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one

(2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one (PubChem CID 139194002) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one
PubChem CID139194002
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name(2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one
SMILESCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C(c1ccccc1)=C([C@@H](C)C(=O)c1ccccc1)O2
InChIInChI=1S/C34H28N2O2/c1-23(32(37)27-19-11-5-12-20-27)33-31(26-17-9-4-10-18-26)30(25-15-7-3-8-16-25)29-24(2)35-36(34(29)38-33)28-21-13-6-14-22-28/h3-23,30H,1-2H3/t23-,30+/m0/s1
InChIKeyCBZHGIZXZZTRIZ-YUDQIZAISA-N
XLogP7.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-fluorobenzoate
CID 7202265
3-Methyl-1-phenyl-1H-pyrazol-5-yl benzoate
CID 569570
[4-Benzoyl-2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl] benzoate
CID 16077235
[5-Methyl-4-(4-methylbenzoyl)-2-phenyl-pyrazol-3-yl] 4-methylbenzoate
CID 16077236
4-(4-Benzamidophenyl)-3-(3-fluorophenyl)-1-phenyl-1H-pyrazol-5-YL acetate
CID 46013463
(5-Methyl-2-phenylpyrazol-3-yl) 2-(1-acetyloxypentyl)benzoate
CID 122186513
3-Methyl-1-phenylchromeno[2,3-c]pyrazol-4-one
CID 341483
1-Phenyl-3-methyl-4-benzoyl-5-methoxypyrazole
CID 11098321
7,7-dimethyl-1,4-diphenyl-3-(trifluoromethyl)-6,8-dihydro-4H-chromeno[3,2-d]pyrazol-5-one
CID 132524360
[4-[(1S)-1-(4-fluorophenyl)-3-oxobutyl]-3-methyl-1-phenylpyrazol-5-yl] acetate
CID 178250570
3-Methyl-1-phenyl-1h-pyrazol-5-yl 2-methylbenzoate
CID 16080493
1-[3-[5-Benzyl-3-[3-(dimethylamino)propoxy]pyrazol-1-yl]phenyl]ethanone
CID 54164709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one?
The IUPAC name of (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one (CID 139194002) is (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one?
The canonical SMILES for (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one is Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C(c1ccccc1)=C([C@@H](C)C(=O)c1ccccc1)O2.
What is the InChIKey of (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one?
The InChIKey is CBZHGIZXZZTRIZ-YUDQIZAISA-N. The full InChI is InChI=1S/C34H28N2O2/c1-23(32(37)27-19-11-5-12-20-27)33-31(26-17-9-4-10-18-26)30(25-15-7-3-8-16-25)29-24(2)35-36(34(29)38-33)28-21-13-6-14-22-28/h3-23,30H,1-2H3/t23-,30+/m0/s1.
What are the key properties of (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one?
(2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one has a molecular weight of 496.61 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-3-methyl-1,4,5-triphenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 139194002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).