[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate

C22H29N3O4 — CID 5111922

IUPAC[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate
SMILESCc1c(NC(=O)C(C)OC(=O)CCC2CCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H29N3O4/c1-15-20(22(28)25(24(15)3)18-11-5-4-6-12-18)23-21(27)16(2)29-19(26)14-13-17-9-7-8-10-17/h4-6,11-12,16-17H,7-10,13-14H2,1-3H3,(H,23,27)
InChIKeyZPZXUSAUFRGZMM-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.33
Rot. Bonds7

About [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate

[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate (PubChem CID 5111922) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate
PubChem CID5111922
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate
SMILESCc1c(NC(=O)C(C)OC(=O)CCC2CCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H29N3O4/c1-15-20(22(28)25(24(15)3)18-11-5-4-6-12-18)23-21(27)16(2)29-19(26)14-13-17-9-7-8-10-17/h4-6,11-12,16-17H,7-10,13-14H2,1-3H3,(H,23,27)
InChIKeyZPZXUSAUFRGZMM-UHFFFAOYSA-N
XLogP3.33
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate with MolForge

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Related Compounds

[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2391069
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2632561
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 3317667
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 5143027
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 9551972
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 16340003
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate
CID 24686146
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24686237
1-[(4-Fluorophenyl)carbamoyl]ethyl 3-cyclopentylpropanoate
CID 78536183
1-[(4-Fluorophenyl)carbamoyl]propyl 3-cyclopentylpropanoate
CID 118256652
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-benzamidoacetate
CID 4292880
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate
CID 16523079

Frequently Asked Questions

What is the IUPAC name of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate?
The IUPAC name of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate (CID 5111922) is [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate.
What is the SMILES notation for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate?
The canonical SMILES for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate is Cc1c(NC(=O)C(C)OC(=O)CCC2CCCC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate?
The InChIKey is ZPZXUSAUFRGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-15-20(22(28)25(24(15)3)18-11-5-4-6-12-18)23-21(27)16(2)29-19(26)14-13-17-9-7-8-10-17/h4-6,11-12,16-17H,7-10,13-14H2,1-3H3,(H,23,27).
What are the key properties of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate?
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate has a molecular weight of 399.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate is sourced from PubChem (CID 5111922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).