5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H25F3N4 — CID 110220919

IUPAC5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C3CCCN(C4CCCCC4)C3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H25F3N4/c1-13-10-18-23-16(11-17(19(20,21)22)26(18)24-13)14-6-5-9-25(12-14)15-7-3-2-4-8-15/h10-11,14-15H,2-9,12H2,1H3
InChIKeyXVASHKJSVAUYCK-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.57
Rot. Bonds2

About 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 110220919) has the molecular formula C19H25F3N4 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID110220919
Molecular FormulaC19H25F3N4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C3CCCN(C4CCCCC4)C3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H25F3N4/c1-13-10-18-23-16(11-17(19(20,21)22)26(18)24-13)14-6-5-9-25(12-14)15-7-3-2-4-8-15/h10-11,14-15H,2-9,12H2,1H3
InChIKeyXVASHKJSVAUYCK-UHFFFAOYSA-N
XLogP4.57
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 110220919) is 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(C3CCCN(C4CCCCC4)C3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XVASHKJSVAUYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4/c1-13-10-18-23-16(11-17(19(20,21)22)26(18)24-13)14-6-5-9-25(12-14)15-7-3-2-4-8-15/h10-11,14-15H,2-9,12H2,1H3.
What are the key properties of 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 366.43 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpiperidin-3-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110220919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).