N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21N9O2 — CID 88982256

About N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 88982256) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 88982256
• Molecular Formula: C22H21N9O2
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.18
• IUPAC Name: N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(N)cc1-c1nn(Cc2ccnn2C)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C22H21N9O2/c1-29-15(6-8-25-29)12-30-13-18(20(28-30)16-10-14(23)4-5-19(16)33-2)27-22(32)17-11-26-31-9-3-7-24-21(17)31/h3-11,13H,12,23H2,1-2H3,(H,27,32)
• InChIKey: VDWSGYDGECETMZ-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 130.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 88982256) is N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(N)cc1-c1nn(Cc2ccnn2C)cc1NC(=O)c1cnn2cccnc12.

What is the InChIKey of N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VDWSGYDGECETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2/c1-29-15(6-8-25-29)12-30-13-18(20(28-30)16-10-14(23)4-5-19(16)33-2)27-22(32)17-11-26-31-9-3-7-24-21(17)31/h3-11,13H,12,23H2,1-2H3,(H,27,32).

What are the key properties of N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-amino-2-methoxyphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 88982256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).