ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate

C15H24N4O3 — CID 3812009

IUPACethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate
SMILESCCOC(=O)N1CCCN1C(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C15H24N4O3/c1-6-22-14(21)19-9-7-8-18(19)13(20)11-10-12(15(2,3)4)16-17(11)5/h10H,6-9H2,1-5H3
InChIKeyCDLSJPNHCHKUJU-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.94
Rot. Bonds2

About ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate

ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate (PubChem CID 3812009) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate
PubChem CID3812009
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nameethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate
SMILESCCOC(=O)N1CCCN1C(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C15H24N4O3/c1-6-22-14(21)19-9-7-8-18(19)13(20)11-10-12(15(2,3)4)16-17(11)5/h10H,6-9H2,1-5H3
InChIKeyCDLSJPNHCHKUJU-UHFFFAOYSA-N
XLogP1.94
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate
CID 3802965
2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-propylpyrazolidine-1-carbothioamide
CID 3592005
2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-methylpyrazolidine-1-carbothioamide
CID 3872086
ethyl 1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)azepane-4-carboxylate
CID 46947984
1-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]pent-4-en-1-one
CID 4585112
[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 5156561
3-(1,3-benzodioxol-5-yl)-1-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3311909
(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone
CID 119417802
(3-tert-butyl-1-methylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 86863782
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398116

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate?
The IUPAC name of ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate (CID 3812009) is ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate is CCOC(=O)N1CCCN1C(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate?
The InChIKey is CDLSJPNHCHKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-6-22-14(21)19-9-7-8-18(19)13(20)11-10-12(15(2,3)4)16-17(11)5/h10H,6-9H2,1-5H3.
What are the key properties of ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate?
ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidine-1-carboxylate is sourced from PubChem (CID 3812009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).