[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane

C25H31N5OSi — CID 134970994

IUPAC[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCn1ncc2c1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H]2CN=[N+]=[N-]
InChIInChI=1S/C25H31N5OSi/c1-25(2,3)32(21-11-7-5-8-12-21,22-13-9-6-10-14-22)31-18-20-15-19(16-27-29-26)23-17-28-30(4)24(20)23/h5-14,17,19-20H,15-16,18H2,1-4H3/t19-,20+/m0/s1
InChIKeyNRFFDGCFULBDNL-VQTJNVASSA-N
MW445.64 g/mol
LogP4.88
Rot. Bonds7

About [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane

[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 134970994) has the molecular formula C25H31N5OSi and a molecular weight of 445.64 g/mol. Its IUPAC name is [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID134970994
Molecular FormulaC25H31N5OSi
Molecular Weight445.64 g/mol
Exact Mass445.23
IUPAC Name[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCn1ncc2c1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H]2CN=[N+]=[N-]
InChIInChI=1S/C25H31N5OSi/c1-25(2,3)32(21-11-7-5-8-12-21,22-13-9-6-10-14-22)31-18-20-15-19(16-27-29-26)23-17-28-30(4)24(20)23/h5-14,17,19-20H,15-16,18H2,1-4H3/t19-,20+/m0/s1
InChIKeyNRFFDGCFULBDNL-VQTJNVASSA-N
XLogP4.88
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', '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
(E)-N-[[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methylcarbamoyl]-3-ethoxyprop-2-enamide
CID 134970996
[(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol
CID 134973457
CID 134973464
CID 134973464

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane (CID 134970994) is [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane is Cn1ncc2c1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H]2CN=[N+]=[N-].
What is the InChIKey of [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is NRFFDGCFULBDNL-VQTJNVASSA-N. The full InChI is InChI=1S/C25H31N5OSi/c1-25(2,3)32(21-11-7-5-8-12-21,22-13-9-6-10-14-22)31-18-20-15-19(16-27-29-26)23-17-28-30(4)24(20)23/h5-14,17,19-20H,15-16,18H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane?
[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 445.64 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 134970994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).