(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one

C16H20N4O — CID 97307820

IUPAC(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
SMILESCCc1nn(C)cc1N[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H20N4O/c1-3-13-15(11-19(2)18-13)17-14-9-10-20(16(14)21)12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3/t14-/m1/s1
InChIKeyRTYOXAQODQWUGG-CQSZACIVSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds4

About (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one

(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one (PubChem CID 97307820) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
PubChem CID97307820
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
SMILESCCc1nn(C)cc1N[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H20N4O/c1-3-13-15(11-19(2)18-13)17-14-9-10-20(16(14)21)12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3/t14-/m1/s1
InChIKeyRTYOXAQODQWUGG-CQSZACIVSA-N
XLogP2.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107462778
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]pyrrolidin-2-one
CID 75377340
3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one
CID 126788817
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 71838669
3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
CID 102804739
4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
CID 133354000
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
CID 137271144
3-(4-acetyl-2-nitroanilino)-1-phenylpyrrolidin-2-one
CID 133296511
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
CID 107462403

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one (CID 97307820) is (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one is CCc1nn(C)cc1N[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one?
The InChIKey is RTYOXAQODQWUGG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-13-15(11-19(2)18-13)17-14-9-10-20(16(14)21)12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one?
(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 97307820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).