1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one

C15H15F3N4O2 — CID 164637384

IUPAC1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one
SMILESCc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cccc(=O)n1C
InChIInChI=1S/C15H15F3N4O2/c1-9-8-12-21(7-6-11(15(16,17)18)22(12)19-9)14(24)10-4-3-5-13(23)20(10)2/h3-5,8,11H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyJIQTXHPIBVXRFV-NSHDSACASA-N
MW340.31 g/mol
LogP2.04
Rot. Bonds1

About 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one

1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one (PubChem CID 164637384) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one
PubChem CID164637384
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one
SMILESCc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cccc(=O)n1C
InChIInChI=1S/C15H15F3N4O2/c1-9-8-12-21(7-6-11(15(16,17)18)22(12)19-9)14(24)10-4-3-5-13(23)20(10)2/h3-5,8,11H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyJIQTXHPIBVXRFV-NSHDSACASA-N
XLogP2.04
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45814651
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-oxopiperazin-1-yl)acetamide
CID 90256814
N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39041720
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 99831506
2-[5-Oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 68784639
5-Bromo-1-methyl-3-(5-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2(1H)-one
CID 86683998
5-Bromo-3-(5-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-1-methylpyridin-2(1H)-one
CID 86684004
5-bromo-3-[[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methylpyridin-2-one
CID 90136146
1-(1,5-Dimethylpyrazol-3-yl)-5-fluoro-3-(methylamino)pyridin-2-one
CID 137449618
3-Amino-1-(1,5-dimethylpyrazol-3-yl)-5-fluoropyridin-2-one
CID 137450736
3-Amino-1-(1-ethyl-5-methylpyrazol-3-yl)-5-fluoropyridin-2-one
CID 137450737
1-(1,5-Dimethylpyrazol-3-yl)-5-fluoro-3-(propan-2-ylamino)pyridin-2-one
CID 137457464

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one (CID 164637384) is 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one is Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cccc(=O)n1C.
What is the InChIKey of 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one?
The InChIKey is JIQTXHPIBVXRFV-NSHDSACASA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-9-8-12-21(7-6-11(15(16,17)18)22(12)19-9)14(24)10-4-3-5-13(23)20(10)2/h3-5,8,11H,6-7H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one?
1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one has a molecular weight of 340.31 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(7S)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyridin-2-one is sourced from PubChem (CID 164637384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).