ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate

C16H25N3O3 — CID 24712296

IUPACethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnn(C)c2C(C)C)C1
InChIInChI=1S/C16H25N3O3/c1-5-22-16(21)12-7-6-8-19(10-12)15(20)13-9-17-18(4)14(13)11(2)3/h9,11-12H,5-8,10H2,1-4H3
InChIKeyROPODPQISZFFOR-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.96
Rot. Bonds4

About ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 24712296) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID24712296
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nameethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnn(C)c2C(C)C)C1
InChIInChI=1S/C16H25N3O3/c1-5-22-16(21)12-7-6-8-19(10-12)15(20)13-9-17-18(4)14(13)11(2)3/h9,11-12H,5-8,10H2,1-4H3
InChIKeyROPODPQISZFFOR-UHFFFAOYSA-N
XLogP1.96
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-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 ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate (CID 24712296) is ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cnn(C)c2C(C)C)C1.
What is the InChIKey of ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is ROPODPQISZFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-22-16(21)12-7-6-8-19(10-12)15(20)13-9-17-18(4)14(13)11(2)3/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 24712296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).