N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H14F3N7O — CID 71526498

About N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71526498) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 71526498
• Molecular Formula: C16H14F3N7O
• Molecular Weight: 377.33 g/mol
• Exact Mass: 377.12
• IUPAC Name: N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1ccncn1)c1cnn2ccc(N3CCC[C@H]3C(F)(F)F)nc12
• InChI: InChI=1S/C16H14F3N7O/c17-16(18,19)11-2-1-6-25(11)13-4-7-26-14(24-13)10(8-22-26)15(27)23-12-3-5-20-9-21-12/h3-5,7-9,11H,1-2,6H2,(H,20,21,23,27)/t11-/m0/s1
• InChIKey: CVWAAATWAMPBAW-NSHDSACASA-N
• XLogP: 2.30
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.33
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71526498) is N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccncn1)c1cnn2ccc(N3CCC[C@H]3C(F)(F)F)nc12.

What is the InChIKey of N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is CVWAAATWAMPBAW-NSHDSACASA-N. The full InChI is InChI=1S/C16H14F3N7O/c17-16(18,19)11-2-1-6-25(11)13-4-7-26-14(24-13)10(8-22-26)15(27)23-12-3-5-20-9-21-12/h3-5,7-9,11H,1-2,6H2,(H,20,21,23,27)/t11-/m0/s1.

What are the key properties of N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71526498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).