1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C15H23N3O3 — CID 63722049

IUPAC1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-5-18-13(6-12(16-18)9(2)3)14(19)17-7-10(4)11(8-17)15(20)21/h6,9-11H,5,7-8H2,1-4H3,(H,20,21)
InChIKeyHHOFBZDMRHYXKX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.82
Rot. Bonds4

About 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63722049) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63722049
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-5-18-13(6-12(16-18)9(2)3)14(19)17-7-10(4)11(8-17)15(20)21/h6,9-11H,5,7-8H2,1-4H3,(H,20,21)
InChIKeyHHOFBZDMRHYXKX-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63722049) is 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is CCn1nc(C(C)C)cc1C(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HHOFBZDMRHYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18-13(6-12(16-18)9(2)3)14(19)17-7-10(4)11(8-17)15(20)21/h6,9-11H,5,7-8H2,1-4H3,(H,20,21).
What are the key properties of 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63722049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).