tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate

C13H23N3O2 — CID 59637312

IUPACtert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)10-7-9(15-16-10)8-14-11(17)18-13(4,5)6/h7H,8H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyNNYIZNVOHNJSRR-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.73
Rot. Bonds2

About tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate

tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate (PubChem CID 59637312) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate
PubChem CID59637312
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nametert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)10-7-9(15-16-10)8-14-11(17)18-13(4,5)6/h7H,8H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyNNYIZNVOHNJSRR-UHFFFAOYSA-N
XLogP2.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate (CID 59637312) is tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate?
The InChIKey is NNYIZNVOHNJSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-12(2,3)10-7-9(15-16-10)8-14-11(17)18-13(4,5)6/h7H,8H2,1-6H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate?
tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate has a molecular weight of 253.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]carbamate is sourced from PubChem (CID 59637312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).