1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol

C34H25ClF6N8O2 — CID 160841082

IUPAC1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESOC(c1cnn2c(Cl)cc(-c3ccccc3)nc12)C(F)(F)F.OC(c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12)C(F)(F)F
InChIInChI=1S/C20H16F3N5O.C14H9ClF3N3O/c21-20(22,23)18(29)15-12-26-28-17(25-11-13-5-4-8-24-10-13)9-16(27-19(15)28)14-6-2-1-3-7-14;15-11-6-10(8-4-2-1-3-5-8)20-13-9(7-19-21(11)13)12(22)14(16,17)18/h1-10,12,18,25,29H,11H2;1-7,12,22H
InChIKeySIARKIIZWFCBMF-UHFFFAOYSA-N
MW727.07 g/mol
LogP7.64
Rot. Bonds7

About 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol

1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (PubChem CID 160841082) has the molecular formula C34H25ClF6N8O2 and a molecular weight of 727.07 g/mol. Its IUPAC name is 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
PubChem CID160841082
Molecular FormulaC34H25ClF6N8O2
Molecular Weight727.07 g/mol
Exact Mass726.17
IUPAC Name1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESOC(c1cnn2c(Cl)cc(-c3ccccc3)nc12)C(F)(F)F.OC(c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12)C(F)(F)F
InChIInChI=1S/C20H16F3N5O.C14H9ClF3N3O/c21-20(22,23)18(29)15-12-26-28-17(25-11-13-5-4-8-24-10-13)9-16(27-19(15)28)14-6-2-1-3-7-14;15-11-6-10(8-4-2-1-3-5-8)20-13-9(7-19-21(11)13)12(22)14(16,17)18/h1-10,12,18,25,29H,11H2;1-7,12,22H
InChIKeySIARKIIZWFCBMF-UHFFFAOYSA-N
XLogP7.64
TPSA125.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.07
LogP ≤ 57.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol with MolForge

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Related Compounds

(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
2,2,2-Trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 21065605
US9670208, Example 116
CID 118216514
(3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 156525314
(3R,4R)-4-[[[3-chloro-7-[(2-fluoro-4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 166529686
1-(7-Chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol
CID 21065336
(2S)-1-[[4-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 25182027
(2S)-1-[[4-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3,3-difluorocyclobutyl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 25182288
N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]-6,8-bis(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53354526
2-[[4-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol
CID 57856265
6-chloro-8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397855
8-(2-chloro-4-fluorophenyl)-N-[4-phenyl-1-[2-(trifluoromethyl)pyridin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397889

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The IUPAC name of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (CID 160841082) is 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.
What is the SMILES notation for 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The canonical SMILES for 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is OC(c1cnn2c(Cl)cc(-c3ccccc3)nc12)C(F)(F)F.OC(c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12)C(F)(F)F.
What is the InChIKey of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The InChIKey is SIARKIIZWFCBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O.C14H9ClF3N3O/c21-20(22,23)18(29)15-12-26-28-17(25-11-13-5-4-8-24-10-13)9-16(27-19(15)28)14-6-2-1-3-7-14;15-11-6-10(8-4-2-1-3-5-8)20-13-9(7-19-21(11)13)12(22)14(16,17)18/h1-10,12,18,25,29H,11H2;1-7,12,22H.
What are the key properties of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol has a molecular weight of 727.07 g/mol, XLogP of 7.64, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 160841082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).