7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H18BrClN8O — CID 19468542

About 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468542) has the molecular formula C22H18BrClN8O and a molecular weight of 525.80 g/mol. Its IUPAC name is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19468542
• Molecular Formula: C22H18BrClN8O
• Molecular Weight: 525.80 g/mol
• Exact Mass: 524.05
• IUPAC Name: 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCn1cc(Br)c(-c2ccnc3cc(C(=O)Nc4cnn(Cc5cccc(Cl)c5)c4)nn23)n1
• InChI: InChI=1S/C22H18BrClN8O/c1-2-30-13-17(23)21(29-30)19-6-7-25-20-9-18(28-32(19)20)22(33)27-16-10-26-31(12-16)11-14-4-3-5-15(24)8-14/h3-10,12-13H,2,11H2,1H3,(H,27,33)
• InChIKey: LOXQBKFIIHUGRI-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 94.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.80
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468542) is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Br)c(-c2ccnc3cc(C(=O)Nc4cnn(Cc5cccc(Cl)c5)c4)nn23)n1.

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

The InChIKey is LOXQBKFIIHUGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN8O/c1-2-30-13-17(23)21(29-30)19-6-7-25-20-9-18(28-32(19)20)22(33)27-16-10-26-31(12-16)11-14-4-3-5-15(24)8-14/h3-10,12-13H,2,11H2,1H3,(H,27,33).

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

7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 525.80 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).