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

C19H31N3O3 — CID 24712308

IUPACethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnn(C(C)(C)C)c2C(C)C)C1
InChIInChI=1S/C19H31N3O3/c1-7-25-18(24)14-9-8-10-21(12-14)17(23)15-11-20-22(19(4,5)6)16(15)13(2)3/h11,13-14H,7-10,12H2,1-6H3
InChIKeyUDEOFRLWNLTADF-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.18
Rot. Bonds4

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

ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 24712308) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID24712308
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nameethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnn(C(C)(C)C)c2C(C)C)C1
InChIInChI=1S/C19H31N3O3/c1-7-25-18(24)14-9-8-10-21(12-14)17(23)15-11-20-22(19(4,5)6)16(15)13(2)3/h11,13-14H,7-10,12H2,1-6H3
InChIKeyUDEOFRLWNLTADF-UHFFFAOYSA-N
XLogP3.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate (CID 24712308) is ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cnn(C(C)(C)C)c2C(C)C)C1.
What is the InChIKey of ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is UDEOFRLWNLTADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-7-25-18(24)14-9-8-10-21(12-14)17(23)15-11-20-22(19(4,5)6)16(15)13(2)3/h11,13-14H,7-10,12H2,1-6H3.
What are the key properties of ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-tert-butyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 24712308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).