N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C26H31F3N10O2 — CID 175926322

About N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 175926322) has the molecular formula C26H31F3N10O2 and a molecular weight of 572.60 g/mol. Its IUPAC name is N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 175926322
• Molecular Formula: C26H31F3N10O2
• Molecular Weight: 572.60 g/mol
• Exact Mass: 572.26
• IUPAC Name: N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1cnn(C(CC#N)c2cnnn2CC(F)(F)F)c1)C(C1CC1)C1CC1
• InChI: InChI=1S/C26H31F3N10O2/c1-15(2)39-20(8-10-32-39)24(40)35-23(22(16-3-4-16)17-5-6-17)25(41)34-18-11-33-37(13-18)19(7-9-30)21-12-31-36-38(21)14-26(27,28)29/h8,10-13,15-17,19,22-23H,3-7,14H2,1-2H3,(H,34,41)(H,35,40)/t19?,23-/m0/s1
• InChIKey: QJLVIQWFZYPNHE-BVHINDKJSA-N
• XLogP: 3.49
• TPSA: 148.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.60
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 175926322) is N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1cnn(C(CC#N)c2cnnn2CC(F)(F)F)c1)C(C1CC1)C1CC1.

What is the InChIKey of N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is QJLVIQWFZYPNHE-BVHINDKJSA-N. The full InChI is InChI=1S/C26H31F3N10O2/c1-15(2)39-20(8-10-32-39)24(40)35-23(22(16-3-4-16)17-5-6-17)25(41)34-18-11-33-37(13-18)19(7-9-30)21-12-31-36-38(21)14-26(27,28)29/h8,10-13,15-17,19,22-23H,3-7,14H2,1-2H3,(H,34,41)(H,35,40)/t19?,23-/m0/s1.

What are the key properties of N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 572.60 g/mol, XLogP of 3.49, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[1-[2-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 175926322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).