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

C24H24ClN7O3 — CID 66851999

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

N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66851999) has the molecular formula C24H24ClN7O3 and a molecular weight of 493.96 g/mol. Its IUPAC name is N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 66851999
• Molecular Formula: C24H24ClN7O3
• Molecular Weight: 493.96 g/mol
• Exact Mass: 493.16
• IUPAC Name: N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(Cl)cc1-c1nn(C(C)(C)C(=O)N2CCC2)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C24H24ClN7O3/c1-24(2,23(34)30-9-5-10-30)32-14-18(20(29-32)16-12-15(25)6-7-19(16)35-3)28-22(33)17-13-27-31-11-4-8-26-21(17)31/h4,6-8,11-14H,5,9-10H2,1-3H3,(H,28,33)
• InChIKey: MDEKRAJJCZLIME-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.96
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66851999) is N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1nn(C(C)(C)C(=O)N2CCC2)cc1NC(=O)c1cnn2cccnc12.

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

The InChIKey is MDEKRAJJCZLIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O3/c1-24(2,23(34)30-9-5-10-30)32-14-18(20(29-32)16-12-15(25)6-7-19(16)35-3)28-22(33)17-13-27-31-11-4-8-26-21(17)31/h4,6-8,11-14H,5,9-10H2,1-3H3,(H,28,33).

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

N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 493.96 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66851999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).