tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate

C14H19BrN4O3 — CID 90293720

IUPACtert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOc1ccn2ncc(Br)c2n1
InChIInChI=1S/C14H19BrN4O3/c1-14(2,3)22-13(20)16-6-4-8-21-11-5-7-19-12(18-11)10(15)9-17-19/h5,7,9H,4,6,8H2,1-3H3,(H,16,20)
InChIKeyGZKOKFPAXOWDFI-UHFFFAOYSA-N
MW371.24 g/mol
LogP2.79
Rot. Bonds5

About tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate

tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate (PubChem CID 90293720) has the molecular formula C14H19BrN4O3 and a molecular weight of 371.24 g/mol. Its IUPAC name is tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate
PubChem CID90293720
Molecular FormulaC14H19BrN4O3
Molecular Weight371.24 g/mol
Exact Mass370.06
IUPAC Nametert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOc1ccn2ncc(Br)c2n1
InChIInChI=1S/C14H19BrN4O3/c1-14(2,3)22-13(20)16-6-4-8-21-11-5-7-19-12(18-11)10(15)9-17-19/h5,7,9H,4,6,8H2,1-3H3,(H,16,20)
InChIKeyGZKOKFPAXOWDFI-UHFFFAOYSA-N
XLogP2.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate 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-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate (CID 90293720) is tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate is CC(C)(C)OC(=O)NCCCOc1ccn2ncc(Br)c2n1.
What is the InChIKey of tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate?
The InChIKey is GZKOKFPAXOWDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O3/c1-14(2,3)22-13(20)16-6-4-8-21-11-5-7-19-12(18-11)10(15)9-17-19/h5,7,9H,4,6,8H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate?
tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate has a molecular weight of 371.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate is sourced from PubChem (CID 90293720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).