(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one

C12H20N4O — CID 178196676

IUPAC(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](N)CC(=O)N2C(C)C)cnn1C
InChIInChI=1S/C12H20N4O/c1-7(2)16-11(17)5-10(13)12(16)9-6-14-15(4)8(9)3/h6-7,10,12H,5,13H2,1-4H3/t10-,12+/m1/s1
InChIKeyKFUYVBYIRPTCSG-PWSUYJOCSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds2

About (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one

(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 178196676) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID178196676
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](N)CC(=O)N2C(C)C)cnn1C
InChIInChI=1S/C12H20N4O/c1-7(2)16-11(17)5-10(13)12(16)9-6-14-15(4)8(9)3/h6-7,10,12H,5,13H2,1-4H3/t10-,12+/m1/s1
InChIKeyKFUYVBYIRPTCSG-PWSUYJOCSA-N
XLogP0.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309867
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide
CID 42958321
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 53618562
5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272288
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
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
2-[(1-Ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 72123077
(3R*,4S*)-4-cyclopropyl-1-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]pyrrolidin-3-amine
CID 72879690

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one (CID 178196676) is (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one is Cc1c([C@H]2[C@H](N)CC(=O)N2C(C)C)cnn1C.
What is the InChIKey of (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is KFUYVBYIRPTCSG-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)16-11(17)5-10(13)12(16)9-6-14-15(4)8(9)3/h6-7,10,12H,5,13H2,1-4H3/t10-,12+/m1/s1.
What are the key properties of (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 178196676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).