5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C15H16F3N3O2 — CID 167206167

IUPAC5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC1(c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)CCCCC1
InChIInChI=1S/C15H16F3N3O2/c1-14(5-3-2-4-6-14)10-8-11(15(16,17)18)21-12(19-10)7-9(20-21)13(22)23/h7-8H,2-6H2,1H3,(H,22,23)
InChIKeyQLWWOTZOTMXOKD-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.67
Rot. Bonds2

About 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 167206167) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID167206167
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC1(c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)CCCCC1
InChIInChI=1S/C15H16F3N3O2/c1-14(5-3-2-4-6-14)10-8-11(15(16,17)18)21-12(19-10)7-9(20-21)13(22)23/h7-8H,2-6H2,1H3,(H,22,23)
InChIKeyQLWWOTZOTMXOKD-UHFFFAOYSA-N
XLogP3.67
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 167206167) is 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CC1(c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)CCCCC1.
What is the InChIKey of 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is QLWWOTZOTMXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-14(5-3-2-4-6-14)10-8-11(15(16,17)18)21-12(19-10)7-9(20-21)13(22)23/h7-8H,2-6H2,1H3,(H,22,23).
What are the key properties of 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 327.31 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclohexyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 167206167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).