tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate

C14H18N4O2 — CID 169467652

IUPACtert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cnn2cccnc12
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-7-4-6-11-10-17-18-9-5-8-15-12(11)18/h4-6,8-10H,7H2,1-3H3,(H,16,19)
InChIKeyJJQXKKDVMDXFCY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.27
Rot. Bonds3

About tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate

tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate (PubChem CID 169467652) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
PubChem CID169467652
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nametert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cnn2cccnc12
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-7-4-6-11-10-17-18-9-5-8-15-12(11)18/h4-6,8-10H,7H2,1-3H3,(H,16,19)
InChIKeyJJQXKKDVMDXFCY-UHFFFAOYSA-N
XLogP2.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate
CID 170490610
benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169471762
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
tert-butyl N-[3-(5,6-diamino-4-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169467613
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
CID 169468518
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870
tert-butyl N-[3-(2-chloro-3-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169468572
N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide
CID 169465666
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate
CID 75396671
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate?
The IUPAC name of tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate (CID 169467652) is tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate is CC(C)(C)OC(=O)NCC=Cc1cnn2cccnc12.
What is the InChIKey of tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate?
The InChIKey is JJQXKKDVMDXFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-7-4-6-11-10-17-18-9-5-8-15-12(11)18/h4-6,8-10H,7H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate?
tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate has a molecular weight of 274.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate is sourced from PubChem (CID 169467652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).