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

C24H38N4O2 — CID 142992360

IUPACtert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate
SMILESCCCN(CCC(c1ccccc1)c1cc(N)n(C(C)(C)C)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H38N4O2/c1-8-15-27(22(29)30-24(5,6)7)16-14-19(18-12-10-9-11-13-18)20-17-21(25)28(26-20)23(2,3)4/h9-13,17,19H,8,14-16,25H2,1-7H3
InChIKeyRDTZECPUJMSGMY-UHFFFAOYSA-N
MW414.59 g/mol
LogP5.39
Rot. Bonds7

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

tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate (PubChem CID 142992360) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate
PubChem CID142992360
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Nametert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate
SMILESCCCN(CCC(c1ccccc1)c1cc(N)n(C(C)(C)C)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H38N4O2/c1-8-15-27(22(29)30-24(5,6)7)16-14-19(18-12-10-9-11-13-18)20-17-21(25)28(26-20)23(2,3)4/h9-13,17,19H,8,14-16,25H2,1-7H3
InChIKeyRDTZECPUJMSGMY-UHFFFAOYSA-N
XLogP5.39
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate (CID 142992360) is tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate is CCCN(CCC(c1ccccc1)c1cc(N)n(C(C)(C)C)n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate?
The InChIKey is RDTZECPUJMSGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-8-15-27(22(29)30-24(5,6)7)16-14-19(18-12-10-9-11-13-18)20-17-21(25)28(26-20)23(2,3)4/h9-13,17,19H,8,14-16,25H2,1-7H3.
What are the key properties of tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate?
tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate has a molecular weight of 414.59 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate is sourced from PubChem (CID 142992360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).