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

C21H22ClN7O4 — CID 70495885

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

2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70495885) has the molecular formula C21H22ClN7O4 and a molecular weight of 471.91 g/mol. Its IUPAC name is 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 70495885
• Molecular Formula: C21H22ClN7O4
• Molecular Weight: 471.91 g/mol
• Exact Mass: 471.14
• IUPAC Name: 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COCC(O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(-c2cc(Cl)ccc2OC)n1
• InChI: InChI=1S/C21H22ClN7O4/c1-32-11-13(30)9-28-10-15(18(26-28)14-8-12(22)4-5-16(14)33-2)25-21(31)17-19(23)27-29-7-3-6-24-20(17)29/h3-8,10,13,30H,9,11H2,1-2H3,(H2,23,27)(H,25,31)
• InChIKey: UQQNWOXYBXXGHF-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 141.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.91
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70495885) is 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(-c2cc(Cl)ccc2OC)n1.

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

The InChIKey is UQQNWOXYBXXGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN7O4/c1-32-11-13(30)9-28-10-15(18(26-28)14-8-12(22)4-5-16(14)33-2)25-21(31)17-19(23)27-29-7-3-6-24-20(17)29/h3-8,10,13,30H,9,11H2,1-2H3,(H2,23,27)(H,25,31).

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

2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.91 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70495885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).