3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C12H20N4O2 — CID 107324856

IUPAC3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCn1nc(C)cc1CN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H20N4O2/c1-3-16-10(6-9(2)14-16)7-15-5-4-12(13,8-15)11(17)18/h6H,3-5,7-8,13H2,1-2H3,(H,17,18)
InChIKeyBHHZIWBYNBQIJJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324856) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID107324856
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCn1nc(C)cc1CN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H20N4O2/c1-3-16-10(6-9(2)14-16)7-15-5-4-12(13,8-15)11(17)18/h6H,3-5,7-8,13H2,1-2H3,(H,17,18)
InChIKeyBHHZIWBYNBQIJJ-UHFFFAOYSA-N
XLogP0.20
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81115265
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
3-amino-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56701671
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
3-amino-1-[(3-chloro-4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321061
3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 56710153
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
3-amino-1-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324447
3-amino-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324776
3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320746
3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324759

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 107324856) is 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is CCn1nc(C)cc1CN1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BHHZIWBYNBQIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-16-10(6-9(2)14-16)7-15-5-4-12(13,8-15)11(17)18/h6H,3-5,7-8,13H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 252.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).