2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate

C16H23N3O3 — CID 75433636

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate
SMILESO=C(OCCN1CCCC1=O)c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C16H23N3O3/c20-15-7-4-8-19(15)9-10-22-16(21)14-11-13(17-18-14)12-5-2-1-3-6-12/h11-12H,1-10H2,(H,17,18)
InChIKeyAPIXLPYJVXAHFX-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate

2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate (PubChem CID 75433636) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate
PubChem CID75433636
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate
SMILESO=C(OCCN1CCCC1=O)c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C16H23N3O3/c20-15-7-4-8-19(15)9-10-22-16(21)14-11-13(17-18-14)12-5-2-1-3-6-12/h11-12H,1-10H2,(H,17,18)
InChIKeyAPIXLPYJVXAHFX-UHFFFAOYSA-N
XLogP2.24
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-cyclobutyl-1H-pyrazole-3-carboxylate
CID 68623715
ethyl 3-isobutyl-1H-pyrazole-5-carboxylate
CID 3804408
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 72002239
3-pyrrolidin-1-ylpropyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 99799902
methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 155958341
3-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxylic acid
CID 165938372
Ethyl 3-cyclopentyl-1H-pyrazole-5-carboxylate
CID 23402497
5-(4-methylpentyl)-1H-pyrazole-3-carboxylic acid ethyl ester
CID 57435074
5-(3-methylbutyl)-1H-pyrazole-3-carboxylic Acid Ethyl Ester
CID 57435091
5-[2-(2,2,6-trimethylcyclohexyl)-ethyl]-1H-pyrazole-3-carboxylic acid ethyl ester
CID 57561711
Ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate
CID 71741799
Ethyl 5-(cyclohexylmethyl)-1H-pyrazole-3-carboxylate
CID 90036411

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate (CID 75433636) is 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate is O=C(OCCN1CCCC1=O)c1cc(C2CCCCC2)[nH]n1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate?
The InChIKey is APIXLPYJVXAHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15-7-4-8-19(15)9-10-22-16(21)14-11-13(17-18-14)12-5-2-1-3-6-12/h11-12H,1-10H2,(H,17,18).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate?
2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 75433636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).