N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide

C28H23N3O2 — CID 71577834

IUPACN-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
SMILESCC(=O)NC(c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C28H23N3O2/c1-19(32)29-28(26-23-15-9-8-10-20(23)16-17-25(26)33)24-18-31(22-13-6-3-7-14-22)30-27(24)21-11-4-2-5-12-21/h2-18,28,33H,1H3,(H,29,32)
InChIKeyBDVFQYICLUROIP-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.62
Rot. Bonds5

About N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide

N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide (PubChem CID 71577834) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
PubChem CID71577834
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
SMILESCC(=O)NC(c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C28H23N3O2/c1-19(32)29-28(26-23-15-9-8-10-20(23)16-17-25(26)33)24-18-31(22-13-6-3-7-14-22)30-27(24)21-11-4-2-5-12-21/h2-18,28,33H,1H3,(H,29,32)
InChIKeyBDVFQYICLUROIP-UHFFFAOYSA-N
XLogP5.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide (CID 71577834) is N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide is CC(=O)NC(c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is BDVFQYICLUROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-19(32)29-28(26-23-15-9-8-10-20(23)16-17-25(26)33)24-18-31(22-13-6-3-7-14-22)30-27(24)21-11-4-2-5-12-21/h2-18,28,33H,1H3,(H,29,32).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 71577834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).