7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H15FN4O — CID 53040811

IUPAC7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(F)cc2C)nc2ccnn12
InChIInChI=1S/C16H15FN4O/c1-3-12-9-14(19-15-6-7-18-21(12)15)16(22)20-13-5-4-11(17)8-10(13)2/h4-9H,3H2,1-2H3,(H,20,22)
InChIKeyXVXKNWAIUXKHEJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.99
Rot. Bonds3

About 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040811) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040811
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(F)cc2C)nc2ccnn12
InChIInChI=1S/C16H15FN4O/c1-3-12-9-14(19-15-6-7-18-21(12)15)16(22)20-13-5-4-11(17)8-10(13)2/h4-9H,3H2,1-2H3,(H,20,22)
InChIKeyXVXKNWAIUXKHEJ-UHFFFAOYSA-N
XLogP2.99
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040811) is 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)Nc2ccc(F)cc2C)nc2ccnn12.
What is the InChIKey of 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XVXKNWAIUXKHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-3-12-9-14(19-15-6-7-18-21(12)15)16(22)20-13-5-4-11(17)8-10(13)2/h4-9H,3H2,1-2H3,(H,20,22).
What are the key properties of 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(4-fluoro-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).