1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid

C14H23N3O2 — CID 65056599

IUPAC1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCn1nc(C)c(C(C)N2CCCC2C(=O)O)c1C
InChIInChI=1S/C14H23N3O2/c1-5-17-11(4)13(9(2)15-17)10(3)16-8-6-7-12(16)14(18)19/h10,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyRABPDVYQVBAEBS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.13
Rot. Bonds4

About 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid

1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 65056599) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID65056599
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCn1nc(C)c(C(C)N2CCCC2C(=O)O)c1C
InChIInChI=1S/C14H23N3O2/c1-5-17-11(4)13(9(2)15-17)10(3)16-8-6-7-12(16)14(18)19/h10,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyRABPDVYQVBAEBS-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid (CID 65056599) is 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid is CCn1nc(C)c(C(C)N2CCCC2C(=O)O)c1C.
What is the InChIKey of 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RABPDVYQVBAEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-17-11(4)13(9(2)15-17)10(3)16-8-6-7-12(16)14(18)19/h10,12H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid?
1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65056599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).