1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one

C19H21F3N4O — CID 24951944

IUPAC1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCN1CCc2c(C(F)(F)F)nn(-c3ccc(CN4CCCC4=O)cc3)c2C1
InChIInChI=1S/C19H21F3N4O/c1-24-10-8-15-16(12-24)26(23-18(15)19(20,21)22)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3
InChIKeyZIPGXLPLMWBESM-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.00
Rot. Bonds3

About 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 24951944) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one
PubChem CID24951944
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCN1CCc2c(C(F)(F)F)nn(-c3ccc(CN4CCCC4=O)cc3)c2C1
InChIInChI=1S/C19H21F3N4O/c1-24-10-8-15-16(12-24)26(23-18(15)19(20,21)22)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3
InChIKeyZIPGXLPLMWBESM-UHFFFAOYSA-N
XLogP3.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 4862343
1-{4-[2-Oxo-2-(1-Pyrrolidinyl)ethyl]phenyl}-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 24827045
1-({2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1Hindazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 25015611
1-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24825905
N,N-dimethyl-2-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}acetamide
CID 24827044
1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24827139
1-{4-[1-(1-pyrrolidinylcarbonyl)cyclopropyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24827142
1-{3-Fluoro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
CID 25015613
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645923
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645924
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-ethylphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23646179
3-Ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 23102

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one (CID 24951944) is 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one is CN1CCc2c(C(F)(F)F)nn(-c3ccc(CN4CCCC4=O)cc3)c2C1.
What is the InChIKey of 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is ZIPGXLPLMWBESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-24-10-8-15-16(12-24)26(23-18(15)19(20,21)22)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 378.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 24951944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).