ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate

C11H19N3O2 — CID 110470603

IUPACethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
SMILESCCOC(=O)Nc1cc(C)nn1C(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-6-16-10(15)12-9-7-8(2)13-14(9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyZRDJBMSEQMZOSK-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.51
Rot. Bonds2

About ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate

ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate (PubChem CID 110470603) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
PubChem CID110470603
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
SMILESCCOC(=O)Nc1cc(C)nn1C(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-6-16-10(15)12-9-7-8(2)13-14(9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyZRDJBMSEQMZOSK-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The IUPAC name of ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate (CID 110470603) is ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The canonical SMILES for ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate is CCOC(=O)Nc1cc(C)nn1C(C)(C)C.
What is the InChIKey of ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
The InChIKey is ZRDJBMSEQMZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-6-16-10(15)12-9-7-8(2)13-14(9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate?
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 110470603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).