N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H9BrN4O3 — CID 1258402

IUPACN-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C14H9BrN4O3/c15-8-5-16-13-4-10(18-19(13)6-8)14(20)17-9-1-2-11-12(3-9)22-7-21-11/h1-6H,7H2,(H,17,20)
InChIKeyOFOQRUGUYSEKGB-UHFFFAOYSA-N
MW361.16 g/mol
LogP2.47
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1258402) has the molecular formula C14H9BrN4O3 and a molecular weight of 361.16 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1258402
Molecular FormulaC14H9BrN4O3
Molecular Weight361.16 g/mol
Exact Mass359.99
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C14H9BrN4O3/c15-8-5-16-13-4-10(18-19(13)6-8)14(20)17-9-1-2-11-12(3-9)22-7-21-11/h1-6H,7H2,(H,17,20)
InChIKeyOFOQRUGUYSEKGB-UHFFFAOYSA-N
XLogP2.47
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1258402) is N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OFOQRUGUYSEKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O3/c15-8-5-16-13-4-10(18-19(13)6-8)14(20)17-9-1-2-11-12(3-9)22-7-21-11/h1-6H,7H2,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 361.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1258402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).