N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H19F3N6O — CID 19449424

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3nc(C)cc3C)cc2n1
InChIInChI=1S/C17H19F3N6O/c1-10-8-14(17(18,19)20)26-15(22-10)9-13(24-26)16(27)21-5-4-6-25-12(3)7-11(2)23-25/h7-9H,4-6H2,1-3H3,(H,21,27)
InChIKeyYGLVTXYZTCGIKX-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.69
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449424) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449424
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3nc(C)cc3C)cc2n1
InChIInChI=1S/C17H19F3N6O/c1-10-8-14(17(18,19)20)26-15(22-10)9-13(24-26)16(27)21-5-4-6-25-12(3)7-11(2)23-25/h7-9H,4-6H2,1-3H3,(H,21,27)
InChIKeyYGLVTXYZTCGIKX-UHFFFAOYSA-N
XLogP2.69
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449424) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3nc(C)cc3C)cc2n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YGLVTXYZTCGIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-10-8-14(17(18,19)20)26-15(22-10)9-13(24-26)16(27)21-5-4-6-25-12(3)7-11(2)23-25/h7-9H,4-6H2,1-3H3,(H,21,27).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).