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

C11H13BrN4O — CID 4775733

IUPAC6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C11H13BrN4O/c1-7(2)4-14-11(17)9-3-10-13-5-8(12)6-16(10)15-9/h3,5-7H,4H2,1-2H3,(H,14,17)
InChIKeyFYDKNKNAIFFODP-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.88
Rot. Bonds3

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

6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4775733) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4775733
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C11H13BrN4O/c1-7(2)4-14-11(17)9-3-10-13-5-8(12)6-16(10)15-9/h3,5-7H,4H2,1-2H3,(H,14,17)
InChIKeyFYDKNKNAIFFODP-UHFFFAOYSA-N
XLogP1.88
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(6-Bromo-pyrazolo[1,5-a]pyrimidine-2-carbonyl)-3,4,5,6,7,8-hexahydro-thiazolo[4,5-d]azepin-2-one
CID 71748063
6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094293
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
3,6-dibromo-N-butylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094294
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
3,6-dibromo-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733312
6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237560
3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980781
2-(2-iodo-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518398

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4775733) is 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)CNC(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FYDKNKNAIFFODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-7(2)4-14-11(17)9-3-10-13-5-8(12)6-16(10)15-9/h3,5-7H,4H2,1-2H3,(H,14,17).
What are the key properties of 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 297.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4775733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).