6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H18BrN5O2 — CID 2981793

IUPAC6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C14H18BrN5O2/c15-11-9-17-13-8-12(18-20(13)10-11)14(21)16-2-1-3-19-4-6-22-7-5-19/h8-10H,1-7H2,(H,16,21)
InChIKeyYCQASRBWRKBWSO-UHFFFAOYSA-N
MW368.24 g/mol
LogP0.94
Rot. Bonds5

About 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2981793) has the molecular formula C14H18BrN5O2 and a molecular weight of 368.24 g/mol. Its IUPAC name is 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2981793
Molecular FormulaC14H18BrN5O2
Molecular Weight368.24 g/mol
Exact Mass367.06
IUPAC Name6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C14H18BrN5O2/c15-11-9-17-13-8-12(18-20(13)10-11)14(21)16-2-1-3-19-4-6-22-7-5-19/h8-10H,1-7H2,(H,16,21)
InChIKeyYCQASRBWRKBWSO-UHFFFAOYSA-N
XLogP0.94
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2981793) is 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YCQASRBWRKBWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O2/c15-11-9-17-13-8-12(18-20(13)10-11)14(21)16-2-1-3-19-4-6-22-7-5-19/h8-10H,1-7H2,(H,16,21).
What are the key properties of 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 368.24 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2981793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).