6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C12H13BrN4O2 — CID 2978527

IUPAC6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C12H13BrN4O2/c13-8-5-14-11-4-10(16-17(11)7-8)12(18)15-6-9-2-1-3-19-9/h4-5,7,9H,1-3,6H2,(H,15,18)
InChIKeyJQEJCPQEAHGULY-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.40
Rot. Bonds3

About 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2978527) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2978527
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C12H13BrN4O2/c13-8-5-14-11-4-10(16-17(11)7-8)12(18)15-6-9-2-1-3-19-9/h4-5,7,9H,1-3,6H2,(H,15,18)
InChIKeyJQEJCPQEAHGULY-UHFFFAOYSA-N
XLogP1.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2978527) is 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC1CCCO1)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JQEJCPQEAHGULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c13-8-5-14-11-4-10(16-17(11)7-8)12(18)15-6-9-2-1-3-19-9/h4-5,7,9H,1-3,6H2,(H,15,18).
What are the key properties of 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2978527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).