(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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Related Compounds

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770006
3-isobutyl-1-methyl-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70779406
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methyl-2-piperidinyl)propanamide
CID 72867210
(3R*,5R*)-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72941156
4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 75356274
rac-(4R,5S)-4-amino-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 79583778
5-amino-6-(1-ethyl-1H-pyrazol-5-yl)piperidin-2-one
CID 114557867
rac-(5R,6R)-5-amino-6-(1-methyl-1H-pyrazol-5-yl)piperidin-2-one
CID 119031223
4-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 121599781
rac-(3R,4S)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124679564
4-(1-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 130876962
N-[6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]-3-sulfanylpropanamide
CID 177681114

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).