1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one

C18H16F3N5O — CID 133402039

IUPAC1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
SMILESCn1cc(N2CCC(Nc3ccnc4cc(C(F)(F)F)ccc34)C2=O)cn1
InChIInChI=1S/C18H16F3N5O/c1-25-10-12(9-23-25)26-7-5-15(17(26)27)24-14-4-6-22-16-8-11(18(19,20)21)2-3-13(14)16/h2-4,6,8-10,15H,5,7H2,1H3,(H,22,24)
InChIKeyNIPVHKJJLSVROV-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.20
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one

1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one (PubChem CID 133402039) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
PubChem CID133402039
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
SMILESCn1cc(N2CCC(Nc3ccnc4cc(C(F)(F)F)ccc34)C2=O)cn1
InChIInChI=1S/C18H16F3N5O/c1-25-10-12(9-23-25)26-7-5-15(17(26)27)24-14-4-6-22-16-8-11(18(19,20)21)2-3-13(14)16/h2-4,6,8-10,15H,5,7H2,1H3,(H,22,24)
InChIKeyNIPVHKJJLSVROV-UHFFFAOYSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-5-(trifluoromethyl)benzonitrile
CID 71915118
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
CID 10625318
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 166361528
N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 133404980
3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 103001402
N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 124609460
N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 126794567
N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine
CID 175308756
(3S)-1-(1-methylpyrazol-4-yl)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 99621152
1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
CID 126800928

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one (CID 133402039) is 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one is Cn1cc(N2CCC(Nc3ccnc4cc(C(F)(F)F)ccc34)C2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is NIPVHKJJLSVROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-25-10-12(9-23-25)26-7-5-15(17(26)27)24-14-4-6-22-16-8-11(18(19,20)21)2-3-13(14)16/h2-4,6,8-10,15H,5,7H2,1H3,(H,22,24).
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one?
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 375.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133402039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).