[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C23H29N3O4 — CID 3432019

IUPAC[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCc1c(NC(=O)C(C)OC(=O)CC2CC3CCC2C3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H29N3O4/c1-14-21(23(29)26(25(14)3)19-7-5-4-6-8-19)24-22(28)15(2)30-20(27)13-18-12-16-9-10-17(18)11-16/h4-8,15-18H,9-13H2,1-3H3,(H,24,28)
InChIKeyDSGCANXLKAXDAP-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.18
Rot. Bonds6

About [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 3432019) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID3432019
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCc1c(NC(=O)C(C)OC(=O)CC2CC3CCC2C3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H29N3O4/c1-14-21(23(29)26(25(14)3)19-7-5-4-6-8-19)24-22(28)15(2)30-20(27)13-18-12-16-9-10-17(18)11-16/h4-8,15-18H,9-13H2,1-3H3,(H,24,28)
InChIKeyDSGCANXLKAXDAP-UHFFFAOYSA-N
XLogP3.18
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4225943
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 5143027
[1-(4-Carbamoylanilino)-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 16298114
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-cyclopentylpropanoate
CID 5111922
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 2999220
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate
CID 4157753
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4650409
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-bromoadamantane-1-carboxylate
CID 4994208
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 16524091

Frequently Asked Questions

What is the IUPAC name of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 3432019) is [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is Cc1c(NC(=O)C(C)OC(=O)CC2CC3CCC2C3)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] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is DSGCANXLKAXDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-14-21(23(29)26(25(14)3)19-7-5-4-6-8-19)24-22(28)15(2)30-20(27)13-18-12-16-9-10-17(18)11-16/h4-8,15-18H,9-13H2,1-3H3,(H,24,28).
What are the key properties of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 411.50 g/mol, XLogP of 3.18, 6 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] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 3432019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).