1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid

C11H15N3O3 — CID 117219067

IUPAC1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid
SMILESCCn1ncc(C(=O)O)c1C(=O)N1CCCC1
InChIInChI=1S/C11H15N3O3/c1-2-14-9(8(7-12-14)11(16)17)10(15)13-5-3-4-6-13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyQYZFPXYSBWEBBQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.84
Rot. Bonds3

About 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid

1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid (PubChem CID 117219067) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid
PubChem CID117219067
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid
SMILESCCn1ncc(C(=O)O)c1C(=O)N1CCCC1
InChIInChI=1S/C11H15N3O3/c1-2-14-9(8(7-12-14)11(16)17)10(15)13-5-3-4-6-13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyQYZFPXYSBWEBBQ-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid (CID 117219067) is 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid is CCn1ncc(C(=O)O)c1C(=O)N1CCCC1.
What is the InChIKey of 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid?
The InChIKey is QYZFPXYSBWEBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-14-9(8(7-12-14)11(16)17)10(15)13-5-3-4-6-13/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid?
1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 117219067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).