3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide

C10H8BrFN4O — CID 118679605

IUPAC3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nn2cc(F)cnc2c1Br
InChIInChI=1S/C10H8BrFN4O/c11-7-8(10(17)14-6-1-2-6)15-16-4-5(12)3-13-9(7)16/h3-4,6H,1-2H2,(H,14,17)
InChIKeyHAERPUPWPPSNHT-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.52
Rot. Bonds2

About 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 118679605) has the molecular formula C10H8BrFN4O and a molecular weight of 299.10 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID118679605
Molecular FormulaC10H8BrFN4O
Molecular Weight299.10 g/mol
Exact Mass297.99
IUPAC Name3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC1)c1nn2cc(F)cnc2c1Br
InChIInChI=1S/C10H8BrFN4O/c11-7-8(10(17)14-6-1-2-6)15-16-4-5(12)3-13-9(7)16/h3-4,6H,1-2H2,(H,14,17)
InChIKeyHAERPUPWPPSNHT-UHFFFAOYSA-N
XLogP1.52
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 118679605) is 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CC1)c1nn2cc(F)cnc2c1Br.
What is the InChIKey of 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HAERPUPWPPSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O/c11-7-8(10(17)14-6-1-2-6)15-16-4-5(12)3-13-9(7)16/h3-4,6H,1-2H2,(H,14,17).
What are the key properties of 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 299.10 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 118679605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).