[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate

C16H26N4O2 — CID 68522476

IUPAC[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate
SMILESCC(C)(C)n1nc(C2CC(OC(=O)NC3CCC3)C2)cc1N
InChIInChI=1S/C16H26N4O2/c1-16(2,3)20-14(17)9-13(19-20)10-7-12(8-10)22-15(21)18-11-5-4-6-11/h9-12H,4-8,17H2,1-3H3,(H,18,21)
InChIKeyQXQDMYQTEWQBNP-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.74
Rot. Bonds3

About [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate

[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate (PubChem CID 68522476) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate.

Molecular Properties

Compound Name[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate
PubChem CID68522476
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate
SMILESCC(C)(C)n1nc(C2CC(OC(=O)NC3CCC3)C2)cc1N
InChIInChI=1S/C16H26N4O2/c1-16(2,3)20-14(17)9-13(19-20)10-7-12(8-10)22-15(21)18-11-5-4-6-11/h9-12H,4-8,17H2,1-3H3,(H,18,21)
InChIKeyQXQDMYQTEWQBNP-UHFFFAOYSA-N
XLogP2.74
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate?
The IUPAC name of [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate (CID 68522476) is [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate.
What is the SMILES notation for [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate?
The canonical SMILES for [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate is CC(C)(C)n1nc(C2CC(OC(=O)NC3CCC3)C2)cc1N.
What is the InChIKey of [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate?
The InChIKey is QXQDMYQTEWQBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)20-14(17)9-13(19-20)10-7-12(8-10)22-15(21)18-11-5-4-6-11/h9-12H,4-8,17H2,1-3H3,(H,18,21).
What are the key properties of [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate?
[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate has a molecular weight of 306.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclobutyl] N-cyclobutylcarbamate is sourced from PubChem (CID 68522476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).