(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione

C9H12N4O2 — CID 39220911

IUPAC(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1[nH]ncc1CN1C(=O)C[C@H](N)C1=O
InChIInChI=1S/C9H12N4O2/c1-5-6(3-11-12-5)4-13-8(14)2-7(10)9(13)15/h3,7H,2,4,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyMBJVKFHRFUZOIO-ZETCQYMHSA-N
MW208.22 g/mol
LogP-0.70
Rot. Bonds2

About (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione

(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 39220911) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
PubChem CID39220911
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1[nH]ncc1CN1C(=O)C[C@H](N)C1=O
InChIInChI=1S/C9H12N4O2/c1-5-6(3-11-12-5)4-13-8(14)2-7(10)9(13)15/h3,7H,2,4,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyMBJVKFHRFUZOIO-ZETCQYMHSA-N
XLogP-0.70
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinecarboxamide
CID 91909579
N-[(5-Methyl-1H-pyrazol-4-YL)methyl]-1-(6-oxo-1,6-dihydropyridazin-4-YL)pyrrolidine-3-carboxamide
CID 91920234
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
N-methyl-N-(1H-pyrazol-3-ylmethyl)-2-pyrrolidin-1-ylbutanamide
CID 90651113
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 164642054
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227640
5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60976309
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957956

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione (CID 39220911) is (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione is Cc1[nH]ncc1CN1C(=O)C[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is MBJVKFHRFUZOIO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5-6(3-11-12-5)4-13-8(14)2-7(10)9(13)15/h3,7H,2,4,10H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione?
(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 208.22 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 39220911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).