ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate

C13H18N4O2 — CID 134857833

IUPACethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate
SMILESCCOC(=O)NCCCc1cnc2ccnn2c1C
InChIInChI=1S/C13H18N4O2/c1-3-19-13(18)14-7-4-5-11-9-15-12-6-8-16-17(12)10(11)2/h6,8-9H,3-5,7H2,1-2H3,(H,14,18)
InChIKeyAUGFSCRZTFOZDG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.72
Rot. Bonds5

About ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate

ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate (PubChem CID 134857833) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate
PubChem CID134857833
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate
SMILESCCOC(=O)NCCCc1cnc2ccnn2c1C
InChIInChI=1S/C13H18N4O2/c1-3-19-13(18)14-7-4-5-11-9-15-12-6-8-16-17(12)10(11)2/h6,8-9H,3-5,7H2,1-2H3,(H,14,18)
InChIKeyAUGFSCRZTFOZDG-UHFFFAOYSA-N
XLogP1.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate?
The IUPAC name of ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate (CID 134857833) is ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate.
What is the SMILES notation for ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate?
The canonical SMILES for ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate is CCOC(=O)NCCCc1cnc2ccnn2c1C.
What is the InChIKey of ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate?
The InChIKey is AUGFSCRZTFOZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-19-13(18)14-7-4-5-11-9-15-12-6-8-16-17(12)10(11)2/h6,8-9H,3-5,7H2,1-2H3,(H,14,18).
What are the key properties of ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate?
ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]carbamate is sourced from PubChem (CID 134857833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).