7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H22BrN11O2 — CID 19468623

About 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468623) has the molecular formula C22H22BrN11O2 and a molecular weight of 552.40 g/mol. Its IUPAC name is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19468623
• Molecular Formula: C22H22BrN11O2
• Molecular Weight: 552.40 g/mol
• Exact Mass: 551.11
• IUPAC Name: 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCn1cc(Br)c(-c2ccnc3cc(C(=O)Nc4cnn(C)c4C(=O)Nc4cnn(C)c4C)nn23)n1
• InChI: InChI=1S/C22H22BrN11O2/c1-5-33-11-13(23)19(30-33)17-6-7-24-18-8-14(29-34(17)18)21(35)28-16-10-26-32(4)20(16)22(36)27-15-9-25-31(3)12(15)2/h6-11H,5H2,1-4H3,(H,27,36)(H,28,35)
• InChIKey: VZGBZTPIOIBNQM-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 141.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.40
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468623) is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Br)c(-c2ccnc3cc(C(=O)Nc4cnn(C)c4C(=O)Nc4cnn(C)c4C)nn23)n1.

What is the InChIKey of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is VZGBZTPIOIBNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN11O2/c1-5-33-11-13(23)19(30-33)17-6-7-24-18-8-14(29-34(17)18)21(35)28-16-10-26-32(4)20(16)22(36)27-15-9-25-31(3)12(15)2/h6-11H,5H2,1-4H3,(H,27,36)(H,28,35).

What are the key properties of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 552.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).