N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H17FN4O2 — CID 4865420

IUPACN-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C21H17FN4O2/c1-2-28-19-6-4-3-5-16(19)24-21(27)17-13-20-23-12-11-18(26(20)25-17)14-7-9-15(22)10-8-14/h3-13H,2H2,1H3,(H,24,27)
InChIKeyLZOAHXBKJSWMKW-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.19
Rot. Bonds5

About N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4865420) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4865420
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C21H17FN4O2/c1-2-28-19-6-4-3-5-16(19)24-21(27)17-13-20-23-12-11-18(26(20)25-17)14-7-9-15(22)10-8-14/h3-13H,2H2,1H3,(H,24,27)
InChIKeyLZOAHXBKJSWMKW-UHFFFAOYSA-N
XLogP4.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4865420) is N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccccc1NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LZOAHXBKJSWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-2-28-19-6-4-3-5-16(19)24-21(27)17-13-20-23-12-11-18(26(20)25-17)14-7-9-15(22)10-8-14/h3-13H,2H2,1H3,(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4865420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).