N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H19F3N4O — CID 3325795

IUPACN-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-8-12(10-6-7-10)22-15-9-13(23-24(14)15)16(25)21-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,21,25)
InChIKeyXZPPBKOFNNACHP-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.69
Rot. Bonds3

About N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3325795) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3325795
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-8-12(10-6-7-10)22-15-9-13(23-24(14)15)16(25)21-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,21,25)
InChIKeyXZPPBKOFNNACHP-UHFFFAOYSA-N
XLogP3.69
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3325795) is N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCCCC1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XZPPBKOFNNACHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)14-8-12(10-6-7-10)22-15-9-13(23-24(14)15)16(25)21-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,21,25).
What are the key properties of N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3325795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).