N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide

C28H24N4O2 — CID 23375035

IUPACN-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide
SMILESCC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1Cc1cccc2ccccc12
InChIInChI=1S/C28H24N4O2/c1-20(33)29-28(30-23-14-4-2-5-15-23)26(31-32(27(28)34)24-16-6-3-7-17-24)19-22-13-10-12-21-11-8-9-18-25(21)22/h2-18,30H,19H2,1H3,(H,29,33)
InChIKeyMEUPJUDMLBRZDI-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.73
Rot. Bonds6

About N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide

N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide (PubChem CID 23375035) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide
PubChem CID23375035
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide
SMILESCC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1Cc1cccc2ccccc12
InChIInChI=1S/C28H24N4O2/c1-20(33)29-28(30-23-14-4-2-5-15-23)26(31-32(27(28)34)24-16-6-3-7-17-24)19-22-13-10-12-21-11-8-9-18-25(21)22/h2-18,30H,19H2,1H3,(H,29,33)
InChIKeyMEUPJUDMLBRZDI-UHFFFAOYSA-N
XLogP4.73
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.73
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-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3,4,5-trichlorobenzamide;N-ethylethanamine
CID 18951918
N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide
CID 18951891
N-[4-[N-(diethylamino)anilino]-1-(4-methylphenyl)-3-naphthalen-1-yl-5-oxopyrazol-4-yl]acetamide
CID 70182608
N-(4,4-dibromo-5-oxo-1-phenylpyrazol-3-yl)acetamide
CID 20788347
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172
4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid
CID 91583170
N'-acridin-9-yl-2-naphthalen-1-ylacetohydrazide
CID 3740992
N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117

Frequently Asked Questions

What is the IUPAC name of N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide?
The IUPAC name of N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide (CID 23375035) is N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide is CC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1Cc1cccc2ccccc12.
What is the InChIKey of N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide?
The InChIKey is MEUPJUDMLBRZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-20(33)29-28(30-23-14-4-2-5-15-23)26(31-32(27(28)34)24-16-6-3-7-17-24)19-22-13-10-12-21-11-8-9-18-25(21)22/h2-18,30H,19H2,1H3,(H,29,33).
What are the key properties of N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide?
N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-anilino-3-(naphthalen-1-ylmethyl)-5-oxo-1-phenylpyrazol-4-yl]acetamide is sourced from PubChem (CID 23375035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).