1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide

C19H13F9N6O — CID 177050852

About 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide

1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide (PubChem CID 177050852) has the molecular formula C19H13F9N6O and a molecular weight of 512.34 g/mol. Its IUPAC name is 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide
• PubChem CID: 177050852
• Molecular Formula: C19H13F9N6O
• Molecular Weight: 512.34 g/mol
• Exact Mass: 512.10
• IUPAC Name: 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide
• SMILES: O=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cnn(C(F)(F)F)c1C(F)(F)F
• InChI: InChI=1S/C19H13F9N6O/c20-17(21,22)14-6-9(3-4-29-14)12-7-13-11(2-1-5-33(13)32-12)31-16(35)10-8-30-34(19(26,27)28)15(10)18(23,24)25/h3-4,6-8,11H,1-2,5H2,(H,31,35)/t11-/m0/s1
• InChIKey: GKOQMSITRUSNQB-NSHDSACASA-N
• XLogP: 4.92
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.34
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide?

The IUPAC name of 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide (CID 177050852) is 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide is O=C(N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cnn(C(F)(F)F)c1C(F)(F)F.

What is the InChIKey of 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide?

The InChIKey is GKOQMSITRUSNQB-NSHDSACASA-N. The full InChI is InChI=1S/C19H13F9N6O/c20-17(21,22)14-6-9(3-4-29-14)12-7-13-11(2-1-5-33(13)32-12)31-16(35)10-8-30-34(19(26,27)28)15(10)18(23,24)25/h3-4,6-8,11H,1-2,5H2,(H,31,35)/t11-/m0/s1.

What are the key properties of 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide?

1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide has a molecular weight of 512.34 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 177050852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).