1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one

C10H16N4O — CID 62207971

IUPAC1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(N)c1CN1CCCC1=O
InChIInChI=1S/C10H16N4O/c1-7-8(10(11)13(2)12-7)6-14-5-3-4-9(14)15/h3-6,11H2,1-2H3
InChIKeyPKNURCKKLCRVFR-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.43
Rot. Bonds2

About 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one

1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 62207971) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID62207971
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(N)c1CN1CCCC1=O
InChIInChI=1S/C10H16N4O/c1-7-8(10(11)13(2)12-7)6-14-5-3-4-9(14)15/h3-6,11H2,1-2H3
InChIKeyPKNURCKKLCRVFR-UHFFFAOYSA-N
XLogP0.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 62208843
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 62207914
sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine
CID 23698158
1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid
CID 71071573
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525317
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
2-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111950686
1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
CID 63330941
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine
CID 62190109
4-(diethylaminomethyl)-1,3-dimethylpyrazol-5-amine
CID 62178598
2-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162631538

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (CID 62207971) is 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is Cc1nn(C)c(N)c1CN1CCCC1=O.
What is the InChIKey of 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is PKNURCKKLCRVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-8(10(11)13(2)12-7)6-14-5-3-4-9(14)15/h3-6,11H2,1-2H3.
What are the key properties of 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 62207971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).