7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C20H17F3N4O — CID 16755802

IUPAC7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1nc2c(C#N)cnn2c(C2CCCCC2)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/C20H17F3N4O/c1-28-20-17(16-14(22)7-13(21)8-15(16)23)18(11-5-3-2-4-6-11)27-19(26-20)12(9-24)10-25-27/h7-8,10-11H,2-6H2,1H3
InChIKeyRUOHRVIZSDPPQL-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.74
Rot. Bonds3

About 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 16755802) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID16755802
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1nc2c(C#N)cnn2c(C2CCCCC2)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/C20H17F3N4O/c1-28-20-17(16-14(22)7-13(21)8-15(16)23)18(11-5-3-2-4-6-11)27-19(26-20)12(9-24)10-25-27/h7-8,10-11H,2-6H2,1H3
InChIKeyRUOHRVIZSDPPQL-UHFFFAOYSA-N
XLogP4.74
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 16755802) is 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1nc2c(C#N)cnn2c(C2CCCCC2)c1-c1c(F)cc(F)cc1F.
What is the InChIKey of 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RUOHRVIZSDPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-28-20-17(16-14(22)7-13(21)8-15(16)23)18(11-5-3-2-4-6-11)27-19(26-20)12(9-24)10-25-27/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 386.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5-methoxy-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 16755802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).