(4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one

C9H14N4O — CID 154993892

IUPAC(4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCC1C(=O)NC(c2ccn(C)n2)[C@H]1N
InChIInChI=1S/C9H14N4O/c1-5-7(10)8(11-9(5)14)6-3-4-13(2)12-6/h3-5,7-8H,10H2,1-2H3,(H,11,14)/t5?,7-,8?/m0/s1
InChIKeyDWKJANQQRKXSMO-CEFOYWQBSA-N
MW194.24 g/mol
LogP-0.45
Rot. Bonds1

About (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one

(4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 154993892) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID154993892
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCC1C(=O)NC(c2ccn(C)n2)[C@H]1N
InChIInChI=1S/C9H14N4O/c1-5-7(10)8(11-9(5)14)6-3-4-13(2)12-6/h3-5,7-8H,10H2,1-2H3,(H,11,14)/t5?,7-,8?/m0/s1
InChIKeyDWKJANQQRKXSMO-CEFOYWQBSA-N
XLogP-0.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one (CID 154993892) is (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one is CC1C(=O)NC(c2ccn(C)n2)[C@H]1N.
What is the InChIKey of (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is DWKJANQQRKXSMO-CEFOYWQBSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5-7(10)8(11-9(5)14)6-3-4-13(2)12-6/h3-5,7-8H,10H2,1-2H3,(H,11,14)/t5?,7-,8?/m0/s1.
What are the key properties of (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
(4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-3-methyl-5-(1-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 154993892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).