benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate

C25H33N5O4 — CID 164880088

IUPACbenzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate
SMILESCC1(C)NC(=O)N([C@@H]2CC[C@@H](c3cc(NC(=O)OCc4ccccc4)n(C(C)(C)C)n3)C2)C1=O
InChIInChI=1S/C25H33N5O4/c1-24(2,3)30-20(26-23(33)34-15-16-9-7-6-8-10-16)14-19(28-30)17-11-12-18(13-17)29-21(31)25(4,5)27-22(29)32/h6-10,14,17-18H,11-13,15H2,1-5H3,(H,26,33)(H,27,32)/t17-,18-/m1/s1
InChIKeyWBXKKIZFSSQYAG-QZTJIDSGSA-N
MW467.57 g/mol
LogP4.35
Rot. Bonds5

About benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate

benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate (PubChem CID 164880088) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate
PubChem CID164880088
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Namebenzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate
SMILESCC1(C)NC(=O)N([C@@H]2CC[C@@H](c3cc(NC(=O)OCc4ccccc4)n(C(C)(C)C)n3)C2)C1=O
InChIInChI=1S/C25H33N5O4/c1-24(2,3)30-20(26-23(33)34-15-16-9-7-6-8-10-16)14-19(28-30)17-11-12-18(13-17)29-21(31)25(4,5)27-22(29)32/h6-10,14,17-18H,11-13,15H2,1-5H3,(H,26,33)(H,27,32)/t17-,18-/m1/s1
InChIKeyWBXKKIZFSSQYAG-QZTJIDSGSA-N
XLogP4.35
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate?
The IUPAC name of benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate (CID 164880088) is benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate.
What is the SMILES notation for benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate?
The canonical SMILES for benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate is CC1(C)NC(=O)N([C@@H]2CC[C@@H](c3cc(NC(=O)OCc4ccccc4)n(C(C)(C)C)n3)C2)C1=O.
What is the InChIKey of benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate?
The InChIKey is WBXKKIZFSSQYAG-QZTJIDSGSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-24(2,3)30-20(26-23(33)34-15-16-9-7-6-8-10-16)14-19(28-30)17-11-12-18(13-17)29-21(31)25(4,5)27-22(29)32/h6-10,14,17-18H,11-13,15H2,1-5H3,(H,26,33)(H,27,32)/t17-,18-/m1/s1.
What are the key properties of benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate?
benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate has a molecular weight of 467.57 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate is sourced from PubChem (CID 164880088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).