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

C19H21F3N4O — CID 24952307

IUPAC1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCN1CCc2c(c(C(F)(F)F)nn2-c2ccc(CN3CCCC3=O)cc2)C1
InChIInChI=1S/C19H21F3N4O/c1-24-10-8-16-15(12-24)18(19(20,21)22)23-26(16)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3
InChIKeyOQZVAZSJUWHHEP-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.00
Rot. Bonds3

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

1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 24952307) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one
PubChem CID24952307
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCN1CCc2c(c(C(F)(F)F)nn2-c2ccc(CN3CCCC3=O)cc2)C1
InChIInChI=1S/C19H21F3N4O/c1-24-10-8-16-15(12-24)18(19(20,21)22)23-26(16)14-6-4-13(5-7-14)11-25-9-2-3-17(25)27/h4-7H,2-3,8-12H2,1H3
InChIKeyOQZVAZSJUWHHEP-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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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one (CID 24952307) is 1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one is CN1CCc2c(c(C(F)(F)F)nn2-c2ccc(CN3CCCC3=O)cc2)C1.
What is the InChIKey of 1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is OQZVAZSJUWHHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-24-10-8-16-15(12-24)18(19(20,21)22)23-26(16)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-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-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-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 24952307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).