N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H24ClN7O4 — CID 70497937

About N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497937) has the molecular formula C24H24ClN7O4 and a molecular weight of 509.95 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 70497937
• Molecular Formula: C24H24ClN7O4
• Molecular Weight: 509.95 g/mol
• Exact Mass: 509.16
• IUPAC Name: N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CO)C2)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C24H24ClN7O4/c1-36-20-4-3-16(25)9-17(20)22-19(28-24(35)18-10-27-32-7-2-6-26-23(18)32)12-31(29-22)13-21(34)30-8-5-15(11-30)14-33/h2-4,6-7,9-10,12,15,33H,5,8,11,13-14H2,1H3,(H,28,35)
• InChIKey: XZLGBIBPOVZOAK-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 126.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.95
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497937) is N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC(CO)C2)cc1NC(=O)c1cnn2cccnc12.

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

The InChIKey is XZLGBIBPOVZOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O4/c1-36-20-4-3-16(25)9-17(20)22-19(28-24(35)18-10-27-32-7-2-6-26-23(18)32)12-31(29-22)13-21(34)30-8-5-15(11-30)14-33/h2-4,6-7,9-10,12,15,33H,5,8,11,13-14H2,1H3,(H,28,35).

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

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 509.95 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).