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

C20H15FN4O — CID 4866947

IUPACN-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C20H15FN4O/c21-16-8-6-15(7-9-16)18-10-11-22-19-12-17(24-25(18)19)20(26)23-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26)
InChIKeyZOFYJTQHYCLJBZ-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.47
Rot. Bonds4

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

N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4866947) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4866947
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC NameN-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C20H15FN4O/c21-16-8-6-15(7-9-16)18-10-11-22-19-12-17(24-25(18)19)20(26)23-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26)
InChIKeyZOFYJTQHYCLJBZ-UHFFFAOYSA-N
XLogP3.47
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 92626543
N-(2,5-difluorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5243772
N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902
N-(2-fluorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400677
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
7-(4-fluorophenyl)-N-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4865193
N-(4-acetamidophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264403
7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 92626549
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4775931
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4866947) is N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccccc1)c1cc2nccc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZOFYJTQHYCLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-16-8-6-15(7-9-16)18-10-11-22-19-12-17(24-25(18)19)20(26)23-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26).
What are the key properties of N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4866947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).