N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol

C22H27F3N4O — CID 144515368

IUPACN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol
SMILESCC(C)O.FC(F)(F)c1cccc(-c2cnn3ccc(NC4CCCCC4)nc23)c1
InChIInChI=1S/C19H19F3N4.C3H8O/c20-19(21,22)14-6-4-5-13(11-14)16-12-23-26-10-9-17(25-18(16)26)24-15-7-2-1-3-8-15;1-3(2)4/h4-6,9-12,15H,1-3,7-8H2,(H,24,25);3-4H,1-2H3
InChIKeyZTQKENSYFALBBV-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.55
Rot. Bonds3

About N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol

N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol (PubChem CID 144515368) has the molecular formula C22H27F3N4O and a molecular weight of 420.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol
PubChem CID144515368
Molecular FormulaC22H27F3N4O
Molecular Weight420.48 g/mol
Exact Mass420.21
IUPAC NameN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol
SMILESCC(C)O.FC(F)(F)c1cccc(-c2cnn3ccc(NC4CCCCC4)nc23)c1
InChIInChI=1S/C19H19F3N4.C3H8O/c20-19(21,22)14-6-4-5-13(11-14)16-12-23-26-10-9-17(25-18(16)26)24-15-7-2-1-3-8-15;1-3(2)4/h4-6,9-12,15H,1-3,7-8H2,(H,24,25);3-4H,1-2H3
InChIKeyZTQKENSYFALBBV-UHFFFAOYSA-N
XLogP5.55
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol?
The IUPAC name of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol (CID 144515368) is N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol.
What is the SMILES notation for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol?
The canonical SMILES for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol is CC(C)O.FC(F)(F)c1cccc(-c2cnn3ccc(NC4CCCCC4)nc23)c1.
What is the InChIKey of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol?
The InChIKey is ZTQKENSYFALBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4.C3H8O/c20-19(21,22)14-6-4-5-13(11-14)16-12-23-26-10-9-17(25-18(16)26)24-15-7-2-1-3-8-15;1-3(2)4/h4-6,9-12,15H,1-3,7-8H2,(H,24,25);3-4H,1-2H3.
What are the key properties of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol?
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol has a molecular weight of 420.48 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol is sourced from PubChem (CID 144515368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).