3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide

C20H19N5O3 — CID 51999466

IUPAC3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide
SMILESCC(=O)Nc1cc(C(=O)CC(=O)Nc2ccc(N)cc2)nn1-c1ccccc1
InChIInChI=1S/C20H19N5O3/c1-13(26)22-19-11-17(24-25(19)16-5-3-2-4-6-16)18(27)12-20(28)23-15-9-7-14(21)8-10-15/h2-11H,12,21H2,1H3,(H,22,26)(H,23,28)
InChIKeyFWTKKGQSGZOAPQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.62
Rot. Bonds6

About 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide

3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide (PubChem CID 51999466) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide
PubChem CID51999466
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide
SMILESCC(=O)Nc1cc(C(=O)CC(=O)Nc2ccc(N)cc2)nn1-c1ccccc1
InChIInChI=1S/C20H19N5O3/c1-13(26)22-19-11-17(24-25(19)16-5-3-2-4-6-16)18(27)12-20(28)23-15-9-7-14(21)8-10-15/h2-11H,12,21H2,1H3,(H,22,26)(H,23,28)
InChIKeyFWTKKGQSGZOAPQ-UHFFFAOYSA-N
XLogP2.62
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 51999445
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide
CID 51999504
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
1-[1-(4-aminophenyl)-3-tert-butylpyrazol-5-yl]-3-phenylurea
CID 10871795
5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
CID 51999451
5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 51999403
5-acetamido-N-[2-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51999490
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide?
The IUPAC name of 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide (CID 51999466) is 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide?
The canonical SMILES for 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide is CC(=O)Nc1cc(C(=O)CC(=O)Nc2ccc(N)cc2)nn1-c1ccccc1.
What is the InChIKey of 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide?
The InChIKey is FWTKKGQSGZOAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13(26)22-19-11-17(24-25(19)16-5-3-2-4-6-16)18(27)12-20(28)23-15-9-7-14(21)8-10-15/h2-11H,12,21H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide?
3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide has a molecular weight of 377.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide is sourced from PubChem (CID 51999466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).