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

C15H17F3N4O — CID 842867

IUPAC5-cyclopropyl-N-(2-methylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CNC(=O)C1=NN2C(=CC(=NC2=C1)C3CC3)C(F)(F)F
InChIInChI=1S/C15H17F3N4O/c1-8(2)7-19-14(23)11-6-13-20-10(9-3-4-9)5-12(15(16,17)18)22(13)21-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,23)
InChIKeyIEIOAIMSMCEHMZ-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.80
Rot. Bonds4

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

5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 842867) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-methylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID842867
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name5-cyclopropyl-N-(2-methylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CNC(=O)C1=NN2C(=CC(=NC2=C1)C3CC3)C(F)(F)F
InChIInChI=1S/C15H17F3N4O/c1-8(2)7-19-14(23)11-6-13-20-10(9-3-4-9)5-12(15(16,17)18)22(13)21-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,23)
InChIKeyIEIOAIMSMCEHMZ-UHFFFAOYSA-N
XLogP2.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity452

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 842867) is 5-cyclopropyl-N-(2-methylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)CNC(=O)C1=NN2C(=CC(=NC2=C1)C3CC3)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IEIOAIMSMCEHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-8(2)7-19-14(23)11-6-13-20-10(9-3-4-9)5-12(15(16,17)18)22(13)21-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,23).
What are the key properties of 5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 842867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).