3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

C13H22N4O — CID 63141247

IUPAC3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2c(C)nn(C)c2C)CCNC1
InChIInChI=1S/C13H22N4O/c1-5-13(6-7-14-8-13)12(18)15-11-9(2)16-17(4)10(11)3/h14H,5-8H2,1-4H3,(H,15,18)
InChIKeyNVKRAZYOZRPDQX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds3

About 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 63141247) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID63141247
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2c(C)nn(C)c2C)CCNC1
InChIInChI=1S/C13H22N4O/c1-5-13(6-7-14-8-13)12(18)15-11-9(2)16-17(4)10(11)3/h14H,5-8H2,1-4H3,(H,15,18)
InChIKeyNVKRAZYOZRPDQX-UHFFFAOYSA-N
XLogP1.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide 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 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 63141247) is 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2c(C)nn(C)c2C)CCNC1.
What is the InChIKey of 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is NVKRAZYOZRPDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-13(6-7-14-8-13)12(18)15-11-9(2)16-17(4)10(11)3/h14H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).