(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one

C17H26N6O — CID 154756662

IUPAC(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
SMILESCCN1C(=O)C[C@@H](CNCc2cnn(CC)c2)[C@@H]1c1nccn1C
InChIInChI=1S/C17H26N6O/c1-4-22-12-13(10-20-22)9-18-11-14-8-15(24)23(5-2)16(14)17-19-6-7-21(17)3/h6-7,10,12,14,16,18H,4-5,8-9,11H2,1-3H3/t14-,16+/m0/s1
InChIKeyLLTMVWBAVMDQJM-GOEBONIOSA-N
MW330.44 g/mol
LogP1.34
Rot. Bonds7

About (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one

(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one (PubChem CID 154756662) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
PubChem CID154756662
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
SMILESCCN1C(=O)C[C@@H](CNCc2cnn(CC)c2)[C@@H]1c1nccn1C
InChIInChI=1S/C17H26N6O/c1-4-22-12-13(10-20-22)9-18-11-14-8-15(24)23(5-2)16(14)17-19-6-7-21(17)3/h6-7,10,12,14,16,18H,4-5,8-9,11H2,1-3H3/t14-,16+/m0/s1
InChIKeyLLTMVWBAVMDQJM-GOEBONIOSA-N
XLogP1.34
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide
CID 154799304
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 154796001
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
(5S,6S)-4-ethyl-6-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5-(1-methylimidazol-2-yl)morpholin-3-one
CID 154761164
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
(4S,5R)-5-(1-benzylpyrazol-4-yl)-1-methyl-4-[[(1-methylpyrrol-3-yl)methylamino]methyl]pyrrolidin-2-one
CID 128994461
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one (CID 154756662) is (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one is CCN1C(=O)C[C@@H](CNCc2cnn(CC)c2)[C@@H]1c1nccn1C.
What is the InChIKey of (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is LLTMVWBAVMDQJM-GOEBONIOSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-22-12-13(10-20-22)9-18-11-14-8-15(24)23(5-2)16(14)17-19-6-7-21(17)3/h6-7,10,12,14,16,18H,4-5,8-9,11H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one?
(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 330.44 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 154756662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).