(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one

C15H17ClN4O — CID 96529412

IUPAC(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCc1[nH]ncc1CN[C@@H]1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H17ClN4O/c1-10-11(9-18-19-10)8-17-14-5-6-20(15(14)21)13-4-2-3-12(16)7-13/h2-4,7,9,14,17H,5-6,8H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyLHNBKWINZNMVJG-CQSZACIVSA-N
MW304.78 g/mol
LogP2.27
Rot. Bonds4

About (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one

(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 96529412) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID96529412
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCc1[nH]ncc1CN[C@@H]1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H17ClN4O/c1-10-11(9-18-19-10)8-17-14-5-6-20(15(14)21)13-4-2-3-12(16)7-13/h2-4,7,9,14,17H,5-6,8H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyLHNBKWINZNMVJG-CQSZACIVSA-N
XLogP2.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
CID 119814144
7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126785620
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253521
(2R,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317117
(2S,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317115
(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide
CID 119341058
4-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563803
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
CID 133338471

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 96529412) is (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is Cc1[nH]ncc1CN[C@@H]1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is LHNBKWINZNMVJG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10-11(9-18-19-10)8-17-14-5-6-20(15(14)21)13-4-2-3-12(16)7-13/h2-4,7,9,14,17H,5-6,8H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 304.78 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 96529412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).