1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid

C12H18N4O4 — CID 63757305

IUPAC1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2c(C(N)=O)c(C)nn2C)C1
InChIInChI=1S/C12H18N4O4/c1-6-9(10(13)17)11(15(2)14-6)16-5-7(20-3)4-8(16)12(18)19/h7-8H,4-5H2,1-3H3,(H2,13,17)(H,18,19)
InChIKeyMSCIIEMSOOOQBJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.49
Rot. Bonds4

About 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid

1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 63757305) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID63757305
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2c(C(N)=O)c(C)nn2C)C1
InChIInChI=1S/C12H18N4O4/c1-6-9(10(13)17)11(15(2)14-6)16-5-7(20-3)4-8(16)12(18)19/h7-8H,4-5H2,1-3H3,(H2,13,17)(H,18,19)
InChIKeyMSCIIEMSOOOQBJ-UHFFFAOYSA-N
XLogP-0.49
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid (CID 63757305) is 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2c(C(N)=O)c(C)nn2C)C1.
What is the InChIKey of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is MSCIIEMSOOOQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-6-9(10(13)17)11(15(2)14-6)16-5-7(20-3)4-8(16)12(18)19/h7-8H,4-5H2,1-3H3,(H2,13,17)(H,18,19).
What are the key properties of 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63757305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).