(4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C15H23N7O — CID 138057953

IUPAC(4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](NCCc2cn[nH]n2)CC(=O)N1C
InChIInChI=1S/C15H23N7O/c1-9-14(10(2)22(4)19-9)15-12(7-13(23)21(15)3)16-6-5-11-8-17-20-18-11/h8,12,15-16H,5-7H2,1-4H3,(H,17,18,20)/t12-,15-/m1/s1
InChIKeyTUSDYAZNGZEULY-IUODEOHRSA-N
MW317.40 g/mol
LogP0.26
Rot. Bonds5

About (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

(4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 138057953) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID138057953
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name(4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](NCCc2cn[nH]n2)CC(=O)N1C
InChIInChI=1S/C15H23N7O/c1-9-14(10(2)22(4)19-9)15-12(7-13(23)21(15)3)16-6-5-11-8-17-20-18-11/h8,12,15-16H,5-7H2,1-4H3,(H,17,18,20)/t12-,15-/m1/s1
InChIKeyTUSDYAZNGZEULY-IUODEOHRSA-N
XLogP0.26
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(4R,5S)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 128971322
(4R,5S)-4-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
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(4R,5S)-1-methyl-4-[(1-propyltetrazol-5-yl)methylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
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(4R,5S)-1-methyl-4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
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(4S,5R)-4-[(6-chloropyrazin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
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(4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129005622
(4R,5S)-4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 128998217
(4S,5R)-1-methyl-4-[[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129331746
(4R,5S)-1-methyl-4-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129002337
(4R,5S)-1-methyl-4-[(2-propan-2-ylpyrimidin-4-yl)amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129004495

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 138057953) is (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)c(C)c1[C@H]1[C@H](NCCc2cn[nH]n2)CC(=O)N1C.
What is the InChIKey of (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is TUSDYAZNGZEULY-IUODEOHRSA-N. The full InChI is InChI=1S/C15H23N7O/c1-9-14(10(2)22(4)19-9)15-12(7-13(23)21(15)3)16-6-5-11-8-17-20-18-11/h8,12,15-16H,5-7H2,1-4H3,(H,17,18,20)/t12-,15-/m1/s1.
What are the key properties of (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
(4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 317.40 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-methyl-4-[2-(2H-triazol-4-yl)ethylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 138057953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).