N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H19F3N4O — CID 3124930

IUPACN-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H19F3N4O/c1-4-12(3)23-18(27)15-10-17-24-14(13-7-5-11(2)6-8-13)9-16(19(20,21)22)26(17)25-15/h5-10,12H,4H2,1-3H3,(H,23,27)
InChIKeyWBAKWCZMOTYUTR-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.25
Rot. Bonds4

About N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3124930) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3124930
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H19F3N4O/c1-4-12(3)23-18(27)15-10-17-24-14(13-7-5-11(2)6-8-13)9-16(19(20,21)22)26(17)25-15/h5-10,12H,4H2,1-3H3,(H,23,27)
InChIKeyWBAKWCZMOTYUTR-UHFFFAOYSA-N
XLogP4.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3124930) is N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(C)NC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WBAKWCZMOTYUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-4-12(3)23-18(27)15-10-17-24-14(13-7-5-11(2)6-8-13)9-16(19(20,21)22)26(17)25-15/h5-10,12H,4H2,1-3H3,(H,23,27).
What are the key properties of N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3124930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).