5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide

C₅₄H₄₄BrCl₂F₁₂N₁₀OP — CID 160587073

About 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide

5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide (PubChem CID 160587073) has the molecular formula C₅₄H₄₄BrCl₂F₁₂N₁₀OP and a molecular weight of 1258.77 g/mol. Its IUPAC name is 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide.

Molecular Properties

• Compound Name: 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide
• PubChem CID: 160587073
• Molecular Formula: C₅₄H₄₄BrCl₂F₁₂N₁₀OP
• Molecular Weight: 1258.77 g/mol
• Exact Mass: 1256.18
• IUPAC Name: 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide
• SMILES: C=C(C)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.CC(=O)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C19H18P.C18H14ClF6N5.C17H12ClF6N5O.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8(2)10-7-27-30-15(10)29-14(19)12(16(30)28-9(3)17(20,21)22)13-11(18(23,24)25)5-4-6-26-13;1-7(30)9-6-26-29-14(9)28-13(18)11(15(29)27-8(2)16(19,20)21)12-10(17(22,23)24)4-3-5-25-12;/h2-16H,1H3;4-7,9,28H,1H2,2-3H3;3-6,8,27H,1-2H3;1H/q+1;;;/p-1
• InChIKey: YVYHIZYKKYEDFM-UHFFFAOYSA-M
• XLogP: 11.50
• TPSA: 127.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1258.77
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide?

The IUPAC name of 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide (CID 160587073) is 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide.

What is the SMILES notation for 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide?

The canonical SMILES for 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide is C=C(C)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.CC(=O)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].

What is the InChIKey of 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide?

The InChIKey is YVYHIZYKKYEDFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18P.C18H14ClF6N5.C17H12ClF6N5O.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8(2)10-7-27-30-15(10)29-14(19)12(16(30)28-9(3)17(20,21)22)13-11(18(23,24)25)5-4-6-26-13;1-7(30)9-6-26-29-14(9)28-13(18)11(15(29)27-8(2)16(19,20)21)12-10(17(22,23)24)4-3-5-25-12;/h2-16H,1H3;4-7,9,28H,1H2,2-3H3;3-6,8,27H,1-2H3;1H/q+1;;;/p-1.

What are the key properties of 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide?

5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide has a molecular weight of 1258.77 g/mol, XLogP of 11.50, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide is sourced from PubChem (CID 160587073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160587073 — identifiers, structure, computed properties (public domain)

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