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

C24H30CrN2O2 — CID 135004162

IUPAC[[(4S)-4-(furan-2-yl)-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=NNC[C@@H]2c2ccco2)C1
InChIInChI=1S/C24H30N2O2.Cr/c1-17-11-12-20(24(2,3)18-8-5-4-6-9-18)23(14-17)28-16-21-19(15-25-26-21)22-10-7-13-27-22;/h4-10,13,17,19-20,23,25H,11-12,14-15H2,1-3H3;/t17-,19+,20-,23-;/m1./s1
InChIKeyGHEWBRXLQBNULP-NPFFFBPFSA-N
MW430.51 g/mol
LogP4.80
Rot. Bonds6

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

[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (PubChem CID 135004162) has the molecular formula C24H30CrN2O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [[(4S)-4-(furan-2-yl)-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)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
PubChem CID135004162
Molecular FormulaC24H30CrN2O2
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC Name[[(4S)-4-(furan-2-yl)-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=NNC[C@@H]2c2ccco2)C1
InChIInChI=1S/C24H30N2O2.Cr/c1-17-11-12-20(24(2,3)18-8-5-4-6-9-18)23(14-17)28-16-21-19(15-25-26-21)22-10-7-13-27-22;/h4-10,13,17,19-20,23,25H,11-12,14-15H2,1-3H3;/t17-,19+,20-,23-;/m1./s1
InChIKeyGHEWBRXLQBNULP-NPFFFBPFSA-N
XLogP4.80
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [[(4S)-4-(furan-2-yl)-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)-4-(furan-2-yl)-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)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (CID 135004162) is [[(4S)-4-(furan-2-yl)-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)-4-(furan-2-yl)-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)-4-(furan-2-yl)-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=NNC[C@@H]2c2ccco2)C1.
What is the InChIKey of [[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
The InChIKey is GHEWBRXLQBNULP-NPFFFBPFSA-N. The full InChI is InChI=1S/C24H30N2O2.Cr/c1-17-11-12-20(24(2,3)18-8-5-4-6-9-18)23(14-17)28-16-21-19(15-25-26-21)22-10-7-13-27-22;/h4-10,13,17,19-20,23,25H,11-12,14-15H2,1-3H3;/t17-,19+,20-,23-;/m1./s1.
What are the key properties of [[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?
[[(4S)-4-(furan-2-yl)-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 430.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4S)-4-(furan-2-yl)-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 135004162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).