4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one

C11H20N4O2 — CID 23104222

IUPAC4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one
SMILESCCn1c(N2CCC(O)C2)c(N)c(=O)n1CC
InChIInChI=1S/C11H20N4O2/c1-3-14-10(13-6-5-8(16)7-13)9(12)11(17)15(14)4-2/h8,16H,3-7,12H2,1-2H3
InChIKeyWTICMUVKOZFQIT-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.16
Rot. Bonds3

About 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one

4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one (PubChem CID 23104222) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one
PubChem CID23104222
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one
SMILESCCn1c(N2CCC(O)C2)c(N)c(=O)n1CC
InChIInChI=1S/C11H20N4O2/c1-3-14-10(13-6-5-8(16)7-13)9(12)11(17)15(14)4-2/h8,16H,3-7,12H2,1-2H3
InChIKeyWTICMUVKOZFQIT-UHFFFAOYSA-N
XLogP-0.16
TPSA76.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-amino-1,2-diethyl-5-oxopyrazol-3-yl)pyrrolidin-3-yl]-trimethylazanium
CID 91215126
4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one
CID 23104163
(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
CID 104892733
1-(4-amino-3-ethylphenyl)pyrrolidin-3-ol
CID 22034798
3-amino-4-ethylsulfonyl-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carbonitrile
CID 103421567
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
methyl 4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-propanoylthiophene-3-carboxylate
CID 103421661
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112624222
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
CID 62941352
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one?
The IUPAC name of 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one (CID 23104222) is 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one.
What is the SMILES notation for 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one?
The canonical SMILES for 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one is CCn1c(N2CCC(O)C2)c(N)c(=O)n1CC.
What is the InChIKey of 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one?
The InChIKey is WTICMUVKOZFQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-14-10(13-6-5-8(16)7-13)9(12)11(17)15(14)4-2/h8,16H,3-7,12H2,1-2H3.
What are the key properties of 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one?
4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one has a molecular weight of 240.31 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-diethyl-5-(3-hydroxypyrrolidin-1-yl)pyrazol-3-one is sourced from PubChem (CID 23104222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).