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

C21H17F3N4O2 — CID 135654484

IUPAC3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1c(-c2ccccc2)nn2c1NC(=O)CC2C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H17F3N4O2/c1-12-18(13-7-3-2-4-8-13)27-28-16(11-17(29)26-19(12)28)20(30)25-15-10-6-5-9-14(15)21(22,23)24/h2-10,16H,11H2,1H3,(H,25,30)(H,26,29)
InChIKeySNMHERIOLMVQMN-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.40
Rot. Bonds3

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

3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135654484) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135654484
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1c(-c2ccccc2)nn2c1NC(=O)CC2C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H17F3N4O2/c1-12-18(13-7-3-2-4-8-13)27-28-16(11-17(29)26-19(12)28)20(30)25-15-10-6-5-9-14(15)21(22,23)24/h2-10,16H,11H2,1H3,(H,25,30)(H,26,29)
InChIKeySNMHERIOLMVQMN-UHFFFAOYSA-N
XLogP4.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940719
(7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135953762
N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655659
2-(4-chlorophenyl)-3-methyl-5-oxo-N-(2,3,4-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654824
N,2-bis(3-chlorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654681
N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654655
5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4908463
(7R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940607
(7S)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940606
methyl 4-[[2-(4-chlorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]benzoate
CID 135654660
ethyl 4-[[(7R)-2-(4-fluorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]benzoate
CID 135953420
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135830412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135654484) is 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1c(-c2ccccc2)nn2c1NC(=O)CC2C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is SNMHERIOLMVQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-12-18(13-7-3-2-4-8-13)27-28-16(11-17(29)26-19(12)28)20(30)25-15-10-6-5-9-14(15)21(22,23)24/h2-10,16H,11H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135654484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).