2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate

C18H24N4O2 — CID 86798883

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCc1nn(C)c(C)c1CCOC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H24N4O2/c1-13-16(14(2)21(3)20-13)8-11-24-18(23)15-6-7-17(19-12-15)22-9-4-5-10-22/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyAAXXWIMISVCWNM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.43
Rot. Bonds5

About 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate

2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 86798883) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID86798883
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCc1nn(C)c(C)c1CCOC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H24N4O2/c1-13-16(14(2)21(3)20-13)8-11-24-18(23)15-6-7-17(19-12-15)22-9-4-5-10-22/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyAAXXWIMISVCWNM-UHFFFAOYSA-N
XLogP2.43
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate 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 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate (CID 86798883) is 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate is Cc1nn(C)c(C)c1CCOC(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is AAXXWIMISVCWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-16(14(2)21(3)20-13)8-11-24-18(23)15-6-7-17(19-12-15)22-9-4-5-10-22/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 328.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 86798883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).