[(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol

C25H32N2O2Si — CID 134973457

IUPAC[(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol
SMILESCn1ncc2c1[C@H](CO)C[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32N2O2Si/c1-25(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-18-20-15-19(17-28)24-23(20)16-26-27(24)4/h5-14,16,19-20,28H,15,17-18H2,1-4H3/t19-,20+/m0/s1
InChIKeyNRKYCOFEPHHEBJ-VQTJNVASSA-N
MW420.63 g/mol
LogP3.56
Rot. Bonds6

About [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol

[(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol (PubChem CID 134973457) has the molecular formula C25H32N2O2Si and a molecular weight of 420.63 g/mol. Its IUPAC name is [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol.

Molecular Properties

Compound Name[(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol
PubChem CID134973457
Molecular FormulaC25H32N2O2Si
Molecular Weight420.63 g/mol
Exact Mass420.22
IUPAC Name[(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol
SMILESCn1ncc2c1[C@H](CO)C[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32N2O2Si/c1-25(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-18-20-15-19(17-28)24-23(20)16-26-27(24)4/h5-14,16,19-20,28H,15,17-18H2,1-4H3/t19-,20+/m0/s1
InChIKeyNRKYCOFEPHHEBJ-VQTJNVASSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methyl methanesulfonate
CID 101387633
[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine
CID 101387636
[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
CID 102145865
[(4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol
CID 102145867
[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
CID 102511471
[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methyl methanesulfonate
CID 102511472
[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
CID 134969927
[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine
CID 134970991
[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 134970994
CID 134973464
CID 134973464

Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol?
The IUPAC name of [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol (CID 134973457) is [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol.
What is the SMILES notation for [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol?
The canonical SMILES for [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol is Cn1ncc2c1[C@H](CO)C[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol?
The InChIKey is NRKYCOFEPHHEBJ-VQTJNVASSA-N. The full InChI is InChI=1S/C25H32N2O2Si/c1-25(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-18-20-15-19(17-28)24-23(20)16-26-27(24)4/h5-14,16,19-20,28H,15,17-18H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol?
[(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol has a molecular weight of 420.63 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol is sourced from PubChem (CID 134973457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).