tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C15H20ClN5O4 — CID 137450488

IUPACtert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCCONC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12
InChIInChI=1S/C15H20ClN5O4/c1-6-24-19-13(22)9-8-17-21-11(7-10(16)18-12(9)21)20(5)14(23)25-15(2,3)4/h7-8H,6H2,1-5H3,(H,19,22)
InChIKeyFIMOZZQOLCEKIS-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.44
Rot. Bonds4

About tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 137450488) has the molecular formula C15H20ClN5O4 and a molecular weight of 369.81 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID137450488
Molecular FormulaC15H20ClN5O4
Molecular Weight369.81 g/mol
Exact Mass369.12
IUPAC Nametert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCCONC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12
InChIInChI=1S/C15H20ClN5O4/c1-6-24-19-13(22)9-8-17-21-11(7-10(16)18-12(9)21)20(5)14(23)25-15(2,3)4/h7-8H,6H2,1-5H3,(H,19,22)
InChIKeyFIMOZZQOLCEKIS-UHFFFAOYSA-N
XLogP2.44
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-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-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 137450488) is tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CCONC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.
What is the InChIKey of tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The InChIKey is FIMOZZQOLCEKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O4/c1-6-24-19-13(22)9-8-17-21-11(7-10(16)18-12(9)21)20(5)14(23)25-15(2,3)4/h7-8H,6H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 369.81 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 137450488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).