tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate

C11H16N4O2 — CID 118002958

IUPACtert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(C#N)n(C)n1
InChIInChI=1S/C11H16N4O2/c1-11(2,3)17-10(16)14(4)9-6-8(7-12)15(5)13-9/h6H,1-5H3
InChIKeySQDSPIWAFCNLEC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.66
Rot. Bonds1

About tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate

tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate (PubChem CID 118002958) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate
PubChem CID118002958
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nametert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(C#N)n(C)n1
InChIInChI=1S/C11H16N4O2/c1-11(2,3)17-10(16)14(4)9-6-8(7-12)15(5)13-9/h6H,1-5H3
InChIKeySQDSPIWAFCNLEC-UHFFFAOYSA-N
XLogP1.66
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate (CID 118002958) is tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(C#N)n(C)n1.
What is the InChIKey of tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate?
The InChIKey is SQDSPIWAFCNLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2,3)17-10(16)14(4)9-6-8(7-12)15(5)13-9/h6H,1-5H3.
What are the key properties of tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate?
tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate has a molecular weight of 236.27 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-cyano-1-methylpyrazol-3-yl)-N-methylcarbamate is sourced from PubChem (CID 118002958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).