3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C11H15BrN4O2 — CID 136841907

IUPAC3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nn2c(c1Br)NCCC2C1CCCO1
InChIInChI=1S/C11H15BrN4O2/c12-8-9(10(13)17)15-16-6(3-4-14-11(8)16)7-2-1-5-18-7/h6-7,14H,1-5H2,(H2,13,17)
InChIKeyYNHUQNIUVOIYHU-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.28
Rot. Bonds2

About 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136841907) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID136841907
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nn2c(c1Br)NCCC2C1CCCO1
InChIInChI=1S/C11H15BrN4O2/c12-8-9(10(13)17)15-16-6(3-4-14-11(8)16)7-2-1-5-18-7/h6-7,14H,1-5H2,(H2,13,17)
InChIKeyYNHUQNIUVOIYHU-UHFFFAOYSA-N
XLogP1.28
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 136841907) is 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is NC(=O)c1nn2c(c1Br)NCCC2C1CCCO1.
What is the InChIKey of 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YNHUQNIUVOIYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c12-8-9(10(13)17)15-16-6(3-4-14-11(8)16)7-2-1-5-18-7/h6-7,14H,1-5H2,(H2,13,17).
What are the key properties of 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136841907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).