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

C21H17FN4O2 — CID 42877528

IUPACN-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C21H17FN4O2/c1-2-28-25-21(27)19-12-17(15-8-10-16(22)11-9-15)23-20-13-18(24-26(19)20)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,25,27)
InChIKeyJCCJDEWROSRHDD-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.88
Rot. Bonds5

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

N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 42877528) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID42877528
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C21H17FN4O2/c1-2-28-25-21(27)19-12-17(15-8-10-16(22)11-9-15)23-20-13-18(24-26(19)20)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,25,27)
InChIKeyJCCJDEWROSRHDD-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 42877528) is N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is CCONC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is JCCJDEWROSRHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-2-28-25-21(27)19-12-17(15-8-10-16(22)11-9-15)23-20-13-18(24-26(19)20)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,25,27).
What are the key properties of N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 42877528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).