5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F6N7O2 — CID 122542194

About 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122542194) has the molecular formula C19H19F6N7O2 and a molecular weight of 491.40 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 122542194
• Molecular Formula: C19H19F6N7O2
• Molecular Weight: 491.40 g/mol
• Exact Mass: 491.15
• IUPAC Name: 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cn(CC(F)(F)F)nc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3O)nc12
• InChI: InChI=1S/C19H19F6N7O2/c20-18(21,22)9-31-8-12(15(30-31)19(23,24)25)28-17(34)10-7-26-32-6-5-14(29-16(10)32)27-11-3-1-2-4-13(11)33/h5-8,11,13,33H,1-4,9H2,(H,27,29)(H,28,34)/t11-,13+/m1/s1
• InChIKey: AMUVGDIIXPWSEX-YPMHNXCESA-N
• XLogP: 3.47
• TPSA: 109.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.40
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122542194) is 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(CC(F)(F)F)nc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3O)nc12.

What is the InChIKey of 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AMUVGDIIXPWSEX-YPMHNXCESA-N. The full InChI is InChI=1S/C19H19F6N7O2/c20-18(21,22)9-31-8-12(15(30-31)19(23,24)25)28-17(34)10-7-26-32-6-5-14(29-16(10)32)27-11-3-1-2-4-13(11)33/h5-8,11,13,33H,1-4,9H2,(H,27,29)(H,28,34)/t11-,13+/m1/s1.

What are the key properties of 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 491.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122542194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).