[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate

C16H28N4O2 — CID 155025475

IUPAC[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)OC1CCC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C16H28N4O2/c1-5-8-18-15(21)22-12-7-6-11(9-12)13-10-14(17)20(19-13)16(2,3)4/h10-12H,5-9,17H2,1-4H3,(H,18,21)
InChIKeyNYNKIXRMRATKRT-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.99
Rot. Bonds4

About [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate

[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate (PubChem CID 155025475) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
PubChem CID155025475
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)OC1CCC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C16H28N4O2/c1-5-8-18-15(21)22-12-7-6-11(9-12)13-10-14(17)20(19-13)16(2,3)4/h10-12H,5-9,17H2,1-4H3,(H,18,21)
InChIKeyNYNKIXRMRATKRT-UHFFFAOYSA-N
XLogP2.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.99
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)cyclopentyl] N-propylcarbamate?
The IUPAC name of [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate (CID 155025475) is [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
The canonical SMILES for [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate is CCCNC(=O)OC1CCC(c2cc(N)n(C(C)(C)C)n2)C1.
What is the InChIKey of [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
The InChIKey is NYNKIXRMRATKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-8-18-15(21)22-12-7-6-11(9-12)13-10-14(17)20(19-13)16(2,3)4/h10-12H,5-9,17H2,1-4H3,(H,18,21).
What are the key properties of [3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate has a molecular weight of 308.43 g/mol, XLogP of 2.99, 4 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)cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 155025475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).