1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol

C14H9ClF3N3O — CID 21065336

IUPAC1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cnn2c(Cl)cc(-c3ccccc3)nc12)C(F)(F)F
InChIInChI=1S/C14H9ClF3N3O/c15-11-6-10(8-4-2-1-3-5-8)20-13-9(7-19-21(11)13)12(22)14(16,17)18/h1-7,12,22H
InChIKeyKIGDPHYOSFZMJF-UHFFFAOYSA-N
MW327.69 g/mol
LogP3.65
Rot. Bonds2

About 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol

1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol (PubChem CID 21065336) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol
PubChem CID21065336
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC Name1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cnn2c(Cl)cc(-c3ccccc3)nc12)C(F)(F)F
InChIInChI=1S/C14H9ClF3N3O/c15-11-6-10(8-4-2-1-3-5-8)20-13-9(7-19-21(11)13)12(22)14(16,17)18/h1-7,12,22H
InChIKeyKIGDPHYOSFZMJF-UHFFFAOYSA-N
XLogP3.65
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol (CID 21065336) is 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol is OC(c1cnn2c(Cl)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?
The InChIKey is KIGDPHYOSFZMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c15-11-6-10(8-4-2-1-3-5-8)20-13-9(7-19-21(11)13)12(22)14(16,17)18/h1-7,12,22H.
What are the key properties of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol?
1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol has a molecular weight of 327.69 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 21065336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).