ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate

C19H31N3O3 — CID 42818048

IUPACethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCCc1c(C(=O)N2CCCC(C(=O)OCC)C2)cnn1C(C)(C)C
InChIInChI=1S/C19H31N3O3/c1-6-9-16-15(12-20-22(16)19(3,4)5)17(23)21-11-8-10-14(13-21)18(24)25-7-2/h12,14H,6-11,13H2,1-5H3
InChIKeyJQPZWEHHBNKBHM-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.01
Rot. Bonds5

About ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 42818048) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID42818048
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nameethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCCc1c(C(=O)N2CCCC(C(=O)OCC)C2)cnn1C(C)(C)C
InChIInChI=1S/C19H31N3O3/c1-6-9-16-15(12-20-22(16)19(3,4)5)17(23)21-11-8-10-14(13-21)18(24)25-7-2/h12,14H,6-11,13H2,1-5H3
InChIKeyJQPZWEHHBNKBHM-UHFFFAOYSA-N
XLogP3.01
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.01
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-propylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate (CID 42818048) is ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate is CCCc1c(C(=O)N2CCCC(C(=O)OCC)C2)cnn1C(C)(C)C.
What is the InChIKey of ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is JQPZWEHHBNKBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-6-9-16-15(12-20-22(16)19(3,4)5)17(23)21-11-8-10-14(13-21)18(24)25-7-2/h12,14H,6-11,13H2,1-5H3.
What are the key properties of ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-tert-butyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 3.01, 5 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-propylpyrazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 42818048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).