3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H15BrN6O — CID 19462053

About 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462053) has the molecular formula C18H15BrN6O and a molecular weight of 411.26 g/mol. Its IUPAC name is 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19462053
• Molecular Formula: C18H15BrN6O
• Molecular Weight: 411.26 g/mol
• Exact Mass: 410.05
• IUPAC Name: 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccccc1Cn1ccc(NC(=O)c2nn3cccnc3c2Br)n1
• InChI: InChI=1S/C18H15BrN6O/c1-12-5-2-3-6-13(12)11-24-10-7-14(22-24)21-18(26)16-15(19)17-20-8-4-9-25(17)23-16/h2-10H,11H2,1H3,(H,21,22,26)
• InChIKey: HWNZYWHANAMWQQ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.26
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462053) is 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccccc1Cn1ccc(NC(=O)c2nn3cccnc3c2Br)n1.

What is the InChIKey of 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is HWNZYWHANAMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN6O/c1-12-5-2-3-6-13(12)11-24-10-7-14(22-24)21-18(26)16-15(19)17-20-8-4-9-25(17)23-16/h2-10H,11H2,1H3,(H,21,22,26).

What are the key properties of 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 411.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).