tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate

C15H20N4O2 — CID 170490610

IUPACtert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1cnn2cccnc12
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)17-8-5-4-7-12-11-18-19-10-6-9-16-13(12)19/h4,6-7,9-11H,5,8H2,1-3H3,(H,17,20)
InChIKeyHIADSIKBVXMYRZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate

tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate (PubChem CID 170490610) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate
PubChem CID170490610
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1cnn2cccnc12
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)17-8-5-4-7-12-11-18-19-10-6-9-16-13(12)19/h4,6-7,9-11H,5,8H2,1-3H3,(H,17,20)
InChIKeyHIADSIKBVXMYRZ-UHFFFAOYSA-N
XLogP2.66
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-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-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169467652
tert-butyl N-[4-(4-methyl-3-pyridinyl)but-3-enyl]carbamate
CID 170489930
benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169471762
tert-butyl N-[4-(2-chloro-5-fluoro-4-pyridinyl)but-3-enyl]carbamate
CID 170491537
tert-butyl N-[4-(3-chloro-2-pyridinyl)but-3-enyl]carbamate
CID 170489906
tert-butyl N-[4-(2,5-dichloro-3-pyridinyl)but-3-enyl]carbamate
CID 170490185
tert-butyl N-[4-(3-chloro-4-pyridinyl)but-3-enyl]carbamate
CID 170489916
tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170490540
methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]pyridine-4-carboxylate
CID 170490904
tert-butyl N-[4-(3-cyano-2-pyridinyl)but-3-enyl]carbamate
CID 170490103
tert-butyl N-[4-(5-chloro-2-methylphenyl)but-3-enyl]carbamate
CID 170489959
tert-butyl N-[4-(2,6-dihydroxyphenyl)but-3-enyl]carbamate
CID 170490025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate?
The IUPAC name of tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate (CID 170490610) is tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate is CC(C)(C)OC(=O)NCCC=Cc1cnn2cccnc12.
What is the InChIKey of tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate?
The InChIKey is HIADSIKBVXMYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)17-8-5-4-7-12-11-18-19-10-6-9-16-13(12)19/h4,6-7,9-11H,5,8H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate?
tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate has a molecular weight of 288.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-pyrazolo[1,5-a]pyrimidin-3-ylbut-3-enyl)carbamate is sourced from PubChem (CID 170490610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).