N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H16F3N7O3 — CID 70497456

About N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497456) has the molecular formula C21H16F3N7O3 and a molecular weight of 471.40 g/mol. Its IUPAC name is N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 70497456
• Molecular Formula: C21H16F3N7O3
• Molecular Weight: 471.40 g/mol
• Exact Mass: 471.13
• IUPAC Name: N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(C#N)cc1-c1nn(C[C@@H](O)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C21H16F3N7O3/c1-34-16-4-3-12(8-25)7-13(16)18-15(10-30(29-18)11-17(32)21(22,23)24)28-20(33)14-9-27-31-6-2-5-26-19(14)31/h2-7,9-10,17,32H,11H2,1H3,(H,28,33)/t17-/m1/s1
• InChIKey: RXTZGCNUFMNILP-QGZVFWFLSA-N
• XLogP: 2.65
• TPSA: 130.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.40
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497456) is N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C#N)cc1-c1nn(C[C@@H](O)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12.

What is the InChIKey of N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RXTZGCNUFMNILP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H16F3N7O3/c1-34-16-4-3-12(8-25)7-13(16)18-15(10-30(29-18)11-17(32)21(22,23)24)28-20(33)14-9-27-31-6-2-5-26-19(14)31/h2-7,9-10,17,32H,11H2,1H3,(H,28,33)/t17-/m1/s1.

What are the key properties of N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-cyano-2-methoxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).