pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone

C19H17F3N4O — CID 31015660

IUPACpyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2cnn(CC(F)(F)F)c2)nc2ccccc12)N1CCCC1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)12-26-11-13(10-23-26)17-9-15(18(27)25-7-3-4-8-25)14-5-1-2-6-16(14)24-17/h1-2,5-6,9-11H,3-4,7-8,12H2
InChIKeyZOSLZGQABNEUKX-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.90
Rot. Bonds3

About pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone

pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone (PubChem CID 31015660) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone
PubChem CID31015660
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Namepyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2cnn(CC(F)(F)F)c2)nc2ccccc12)N1CCCC1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)12-26-11-13(10-23-26)17-9-15(18(27)25-7-3-4-8-25)14-5-1-2-6-16(14)24-17/h1-2,5-6,9-11H,3-4,7-8,12H2
InChIKeyZOSLZGQABNEUKX-UHFFFAOYSA-N
XLogP3.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 29087971
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 17022802
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850525
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone (CID 31015660) is pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone is O=C(c1cc(-c2cnn(CC(F)(F)F)c2)nc2ccccc12)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone?
The InChIKey is ZOSLZGQABNEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)12-26-11-13(10-23-26)17-9-15(18(27)25-7-3-4-8-25)14-5-1-2-6-16(14)24-17/h1-2,5-6,9-11H,3-4,7-8,12H2.
What are the key properties of pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone?
pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone has a molecular weight of 374.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone is sourced from PubChem (CID 31015660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).