2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C18H19FN4O — CID 42877365

IUPAC2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C18H19FN4O/c1-11-9-14(17(24)21-13-8-6-5-7-12(13)19)23-16(20-11)10-15(22-23)18(2,3)4/h5-10H,1-4H3,(H,21,24)
InChIKeyHVLZXXIWAMUJCI-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.73
Rot. Bonds2

About 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 42877365) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID42877365
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C18H19FN4O/c1-11-9-14(17(24)21-13-8-6-5-7-12(13)19)23-16(20-11)10-15(22-23)18(2,3)4/h5-10H,1-4H3,(H,21,24)
InChIKeyHVLZXXIWAMUJCI-UHFFFAOYSA-N
XLogP3.73
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-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 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 42877365) is 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc(C(=O)Nc2ccccc2F)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is HVLZXXIWAMUJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-9-14(17(24)21-13-8-6-5-7-12(13)19)23-16(20-11)10-15(22-23)18(2,3)4/h5-10H,1-4H3,(H,21,24).
What are the key properties of 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 42877365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).