[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate

C17H24FN3O3 — CID 52989273

IUPAC[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate
SMILESCC(C)C(C)NC(=O)COC(=O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C17H24FN3O3/c1-10(2)11(3)19-16(22)9-24-17(23)15-8-14(20-21-15)12-4-6-13(18)7-5-12/h4-7,10-11,14-15,20-21H,8-9H2,1-3H3,(H,19,22)
InChIKeyCYYHYPRJWFUHJY-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.44
Rot. Bonds6

About [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate (PubChem CID 52989273) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate
PubChem CID52989273
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate
SMILESCC(C)C(C)NC(=O)COC(=O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C17H24FN3O3/c1-10(2)11(3)19-16(22)9-24-17(23)15-8-14(20-21-15)12-4-6-13(18)7-5-12/h4-7,10-11,14-15,20-21H,8-9H2,1-3H3,(H,19,22)
InChIKeyCYYHYPRJWFUHJY-UHFFFAOYSA-N
XLogP1.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate with MolForge

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Related Compounds

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 46826210
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8987262
methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
CID 71651121
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
CID 78211548
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782738
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620443
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7992338
(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 52989207
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate
CID 55319414
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 55497545
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate?
The IUPAC name of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate (CID 52989273) is [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate.
What is the SMILES notation for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate?
The canonical SMILES for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate is CC(C)C(C)NC(=O)COC(=O)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate?
The InChIKey is CYYHYPRJWFUHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-10(2)11(3)19-16(22)9-24-17(23)15-8-14(20-21-15)12-4-6-13(18)7-5-12/h4-7,10-11,14-15,20-21H,8-9H2,1-3H3,(H,19,22).
What are the key properties of [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate?
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)pyrazolidine-3-carboxylate is sourced from PubChem (CID 52989273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).