N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide

C26H26N4O2 — CID 23375056

IUPACN-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide
SMILESCC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1c1ccc(C(C)C)cc1
InChIInChI=1S/C26H26N4O2/c1-18(2)20-14-16-21(17-15-20)24-26(27-19(3)31,28-22-10-6-4-7-11-22)25(32)30(29-24)23-12-8-5-9-13-23/h4-18,28H,1-3H3,(H,27,31)
InChIKeyIYFQGERJTHZPGN-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.51
Rot. Bonds6

About N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide

N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide (PubChem CID 23375056) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide
PubChem CID23375056
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide
SMILESCC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1c1ccc(C(C)C)cc1
InChIInChI=1S/C26H26N4O2/c1-18(2)20-14-16-21(17-15-20)24-26(27-19(3)31,28-22-10-6-4-7-11-22)25(32)30(29-24)23-12-8-5-9-13-23/h4-18,28H,1-3H3,(H,27,31)
InChIKeyIYFQGERJTHZPGN-UHFFFAOYSA-N
XLogP4.51
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilino-3-dodecyl-5-oxo-1-phenylpyrazol-4-yl)acetamide
CID 23375024
N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3,4,5-trichlorobenzamide;N-ethylethanamine
CID 18951918
N-(2-anilino-1,3-dioxoinden-2-yl)acetamide
CID 91678904
N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide
CID 18951891
N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide
CID 15413208
N-(4,4-dibromo-5-oxo-1-phenylpyrazol-3-yl)acetamide
CID 20788347
4-[2-hydroxy-3-(propan-2-ylamino)propyl]-2,4,5-triphenylpyrazol-3-one
CID 117069030
N-[4-acetamido-4-[4-(diethylamino)-2-methylanilino]-5-oxo-1-phenylpyrazol-3-yl]benzamide
CID 54260555
acetic acid;cumene
CID 172767405
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 3710502
4-(hydroxyamino)-4-(N-methoxy-C-methylcarbonimidoyl)-2-phenyl-5-propan-2-ylpyrazol-3-one
CID 123992447

Frequently Asked Questions

What is the IUPAC name of N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide (CID 23375056) is N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide is CC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1c1ccc(C(C)C)cc1.
What is the InChIKey of N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide?
The InChIKey is IYFQGERJTHZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18(2)20-14-16-21(17-15-20)24-26(27-19(3)31,28-22-10-6-4-7-11-22)25(32)30(29-24)23-12-8-5-9-13-23/h4-18,28H,1-3H3,(H,27,31).
What are the key properties of N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide?
N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-anilino-5-oxo-1-phenyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 23375056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).