[[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

C30H34CrN2O2 — CID 135004562

IUPAC[[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NN[C@@H](c3ccccc3)[C@@H]2c2ccco2)C1
InChIInChI=1S/C30H34N2O2.Cr/c1-21-16-17-24(30(2,3)23-13-8-5-9-14-23)27(19-21)34-20-25-28(26-15-10-18-33-26)29(32-31-25)22-11-6-4-7-12-22;/h4-15,18,21,24,27-29,32H,16-17,19H2,1-3H3;/t21-,24-,27-,28+,29+;/m1./s1
InChIKeyZXOJXDYGTZQHHL-LGUBMQRASA-N
MW506.61 g/mol
LogP6.54
Rot. Bonds7

About [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

[[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (PubChem CID 135004562) has the molecular formula C30H34CrN2O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium.

Molecular Properties

Compound Name[[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
PubChem CID135004562
Molecular FormulaC30H34CrN2O2
Molecular Weight506.61 g/mol
Exact Mass506.20
IUPAC Name[[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NN[C@@H](c3ccccc3)[C@@H]2c2ccco2)C1
InChIInChI=1S/C30H34N2O2.Cr/c1-21-16-17-24(30(2,3)23-13-8-5-9-14-23)27(19-21)34-20-25-28(26-15-10-18-33-26)29(32-31-25)22-11-6-4-7-12-22;/h4-15,18,21,24,27-29,32H,16-17,19H2,1-3H3;/t21-,24-,27-,28+,29+;/m1./s1
InChIKeyZXOJXDYGTZQHHL-LGUBMQRASA-N
XLogP6.54
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
The IUPAC name of [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (CID 135004562) is [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium.
What is the SMILES notation for [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
The canonical SMILES for [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NN[C@@H](c3ccccc3)[C@@H]2c2ccco2)C1.
What is the InChIKey of [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
The InChIKey is ZXOJXDYGTZQHHL-LGUBMQRASA-N. The full InChI is InChI=1S/C30H34N2O2.Cr/c1-21-16-17-24(30(2,3)23-13-8-5-9-14-23)27(19-21)34-20-25-28(26-15-10-18-33-26)29(32-31-25)22-11-6-4-7-12-22;/h4-15,18,21,24,27-29,32H,16-17,19H2,1-3H3;/t21-,24-,27-,28+,29+;/m1./s1.
What are the key properties of [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
[[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium has a molecular weight of 506.61 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4S,5R)-4-(furan-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium is sourced from PubChem (CID 135004562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).