[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate

C23H25N5O3 — CID 52978346

IUPAC[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C23H25N5O3/c1-15-22(16(2)28(27-15)18-11-7-4-8-12-18)24-21(29)14-31-23(30)20-13-19(25-26-20)17-9-5-3-6-10-17/h3-12,19-20,25-26H,13-14H2,1-2H3,(H,24,29)
InChIKeyFEOFJWYWKFOKOM-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.58
Rot. Bonds6

About [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate (PubChem CID 52978346) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate
PubChem CID52978346
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C23H25N5O3/c1-15-22(16(2)28(27-15)18-11-7-4-8-12-18)24-21(29)14-31-23(30)20-13-19(25-26-20)17-9-5-3-6-10-17/h3-12,19-20,25-26H,13-14H2,1-2H3,(H,24,29)
InChIKeyFEOFJWYWKFOKOM-UHFFFAOYSA-N
XLogP2.58
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate 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-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] butanoate
CID 7796847
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 7867109
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 24816700
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775838
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 24686135
trans-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776608
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556649
4-O-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239640
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 51516405
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833656
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 7669774
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673432

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate?
The IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate (CID 52978346) is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate.
What is the SMILES notation for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate?
The canonical SMILES for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate?
The InChIKey is FEOFJWYWKFOKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-22(16(2)28(27-15)18-11-7-4-8-12-18)24-21(29)14-31-23(30)20-13-19(25-26-20)17-9-5-3-6-10-17/h3-12,19-20,25-26H,13-14H2,1-2H3,(H,24,29).
What are the key properties of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate?
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate has a molecular weight of 419.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate is sourced from PubChem (CID 52978346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).