2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H19FN4O4 — CID 135655490

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)C(C(=O)Nc2ccc(F)cc2)CC(=O)N3)cc1OC
InChIInChI=1S/C21H19FN4O4/c1-29-17-8-3-12(9-18(17)30-2)15-10-19-24-20(27)11-16(26(19)25-15)21(28)23-14-6-4-13(22)5-7-14/h3-10,16H,11H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyCSGGVHAXGQPUIJ-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.23
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135655490) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135655490
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)C(C(=O)Nc2ccc(F)cc2)CC(=O)N3)cc1OC
InChIInChI=1S/C21H19FN4O4/c1-29-17-8-3-12(9-18(17)30-2)15-10-19-24-20(27)11-16(26(19)25-15)21(28)23-14-6-4-13(22)5-7-14/h3-10,16H,11H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyCSGGVHAXGQPUIJ-UHFFFAOYSA-N
XLogP3.23
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901652
(7R)-2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135950448
(7R)-N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902107
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655186
(7R)-N-(3,4-dimethoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902199
(7R)-N-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901959
2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654723
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135633533
(7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901713
(7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901648
3-(3,4-dimethoxyphenyl)-5-oxo-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135658176
(7R)-N-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902400

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135655490) is 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc3n(n2)C(C(=O)Nc2ccc(F)cc2)CC(=O)N3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is CSGGVHAXGQPUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-29-17-8-3-12(9-18(17)30-2)15-10-19-24-20(27)11-16(26(19)25-15)21(28)23-14-6-4-13(22)5-7-14/h3-10,16H,11H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135655490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).