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

C22H19F3N4O3 — CID 135658839

IUPAC2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOCc1nn2c(c1-c1ccccc1)NC(=O)CC2C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H19F3N4O3/c1-32-12-16-19(13-7-3-2-4-8-13)20-27-18(30)11-17(29(20)28-16)21(31)26-15-10-6-5-9-14(15)22(23,24)25/h2-10,17H,11-12H2,1H3,(H,26,31)(H,27,30)
InChIKeyVDJYKPOETKNDFI-UHFFFAOYSA-N
MW444.41 g/mol
LogP4.24
Rot. Bonds5

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

2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135658839) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135658839
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOCc1nn2c(c1-c1ccccc1)NC(=O)CC2C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H19F3N4O3/c1-32-12-16-19(13-7-3-2-4-8-13)20-27-18(30)11-17(29(20)28-16)21(31)26-15-10-6-5-9-14(15)22(23,24)25/h2-10,17H,11-12H2,1H3,(H,26,31)(H,27,30)
InChIKeyVDJYKPOETKNDFI-UHFFFAOYSA-N
XLogP4.24
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(methoxymethyl)-2-oxo-7-phenyl-1H,2H,3H-pyrazolo[1,5-a]imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 136220343
5-hydroxy-N-(4-methoxyphenyl)-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135633535
(7R)-3-(2-methoxyphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 136032906
(7R)-N-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 136040898
N-(3-fluorophenyl)-2-[7-(4-fluorophenyl)-6-(methoxymethyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136222456
N-(3,4-difluorophenyl)-5-hydroxy-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654920
N-(3,4-difluorophenyl)-5-hydroxy-2-(methoxymethyl)-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135658690
ethyl 2-[5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-amido]benzoate
CID 135708757
(7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902537
(7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902757
(7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940951
(7S)-2-(methoxymethyl)-N-(3-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 136012248

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135658839) is 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COCc1nn2c(c1-c1ccccc1)NC(=O)CC2C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is VDJYKPOETKNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c1-32-12-16-19(13-7-3-2-4-8-13)20-27-18(30)11-17(29(20)28-16)21(31)26-15-10-6-5-9-14(15)22(23,24)25/h2-10,17H,11-12H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-oxo-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135658839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).