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

C16H15ClF3N3O — CID 142870529

IUPAC1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane
SMILESCC.OC(c1cnn2c(Cl)cc(-c3ccccc3)nc12)C(F)(F)F
InChIInChI=1S/C14H9ClF3N3O.C2H6/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;1-2/h1-7,12,22H;1-2H3
InChIKeyDLPRXJPCWBLCBR-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.67
Rot. Bonds2

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

1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane (PubChem CID 142870529) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane.

Molecular Properties

Compound Name1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane
PubChem CID142870529
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane
SMILESCC.OC(c1cnn2c(Cl)cc(-c3ccccc3)nc12)C(F)(F)F
InChIInChI=1S/C14H9ClF3N3O.C2H6/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;1-2/h1-7,12,22H;1-2H3
InChIKeyDLPRXJPCWBLCBR-UHFFFAOYSA-N
XLogP4.67
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
CID 142869856
7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 154540820
7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 159834441
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 87767602
methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6945421
3-bromo-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine;3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158192871
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 87187050
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98121053

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane?
The IUPAC name of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane (CID 142870529) is 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane.
What is the SMILES notation for 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane?
The canonical SMILES for 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane is CC.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;ethane?
The InChIKey is DLPRXJPCWBLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O.C2H6/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;1-2/h1-7,12,22H;1-2H3.
What are the key properties of 1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane?
1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane has a molecular weight of 357.76 g/mol, XLogP of 4.67, 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;ethane is sourced from PubChem (CID 142870529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).