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

C25H33N3OSi — CID 134970991

IUPAC[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine
SMILESCn1ncc2c1C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2CN
InChIInChI=1S/C25H33N3OSi/c1-25(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-18-20-15-19(16-26)23-17-27-28(4)24(20)23/h5-14,17,19-20H,15-16,18,26H2,1-4H3
InChIKeyFKBOICLLBWBCBB-UHFFFAOYSA-N
MW419.65 g/mol
LogP3.53
Rot. Bonds6

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

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine (PubChem CID 134970991) has the molecular formula C25H33N3OSi and a molecular weight of 419.65 g/mol. Its IUPAC name is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine
PubChem CID134970991
Molecular FormulaC25H33N3OSi
Molecular Weight419.65 g/mol
Exact Mass419.24
IUPAC Name[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine
SMILESCn1ncc2c1C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2CN
InChIInChI=1S/C25H33N3OSi/c1-25(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-18-20-15-19(16-26)23-17-27-28(4)24(20)23/h5-14,17,19-20H,15-16,18,26H2,1-4H3
InChIKeyFKBOICLLBWBCBB-UHFFFAOYSA-N
XLogP3.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 53.53
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-[[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
[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 134970994
(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 [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine?
The IUPAC name of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine (CID 134970991) is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine.
What is the SMILES notation for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine?
The canonical SMILES for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine is Cn1ncc2c1C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2CN.
What is the InChIKey of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine?
The InChIKey is FKBOICLLBWBCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3OSi/c1-25(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-18-20-15-19(16-26)23-17-27-28(4)24(20)23/h5-14,17,19-20H,15-16,18,26H2,1-4H3.
What are the key properties of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine?
[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine has a molecular weight of 419.65 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanamine is sourced from PubChem (CID 134970991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).