ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate

C14H21N3O3 — CID 66120366

IUPACethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1cc(CC)nn1C
InChIInChI=1S/C14H21N3O3/c1-4-10-9-12(16(3)15-10)13(18)17-8-6-7-11(17)14(19)20-5-2/h9,11H,4-8H2,1-3H3
InChIKeyTULAIFGASOQWNY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.15
Rot. Bonds4

About ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate

ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 66120366) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
PubChem CID66120366
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1cc(CC)nn1C
InChIInChI=1S/C14H21N3O3/c1-4-10-9-12(16(3)15-10)13(18)17-8-6-7-11(17)14(19)20-5-2/h9,11H,4-8H2,1-3H3
InChIKeyTULAIFGASOQWNY-UHFFFAOYSA-N
XLogP1.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029176
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
ethyl 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 55006109
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069278
[2-(2-bromopropyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 112748457
methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
CID 66122706
methyl (2S)-1-(3-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 139728189
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77113104
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
CID 66120562

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate (CID 66120366) is ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)c1cc(CC)nn1C.
What is the InChIKey of ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is TULAIFGASOQWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-10-9-12(16(3)15-10)13(18)17-8-6-7-11(17)14(19)20-5-2/h9,11H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate?
ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 66120366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).