N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide

C20H15BrN4O — CID 57044297

IUPACN-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(-c2cncc(Br)c2)[nH]n1
InChIInChI=1S/C20H15BrN4O/c21-16-8-15(11-22-12-16)18-10-19(25-24-18)23-20(26)9-14-6-3-5-13-4-1-2-7-17(13)14/h1-8,10-12H,9H2,(H2,23,24,25,26)
InChIKeyPAMPSESEFZNBSS-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.57
Rot. Bonds4

About N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide

N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide (PubChem CID 57044297) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
PubChem CID57044297
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC NameN-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(-c2cncc(Br)c2)[nH]n1
InChIInChI=1S/C20H15BrN4O/c21-16-8-15(11-22-12-16)18-10-19(25-24-18)23-20(26)9-14-6-3-5-13-4-1-2-7-17(13)14/h1-8,10-12H,9H2,(H2,23,24,25,26)
InChIKeyPAMPSESEFZNBSS-UHFFFAOYSA-N
XLogP4.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-isoquinolin-4-ylacetamide
CID 166252631
N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide
CID 21262993
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
2-naphthalen-1-yl-N-pyridin-2-ylacetamide;hydrochloride
CID 163331171
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 78914172
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
CID 115594855
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide
CID 68895419

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide (CID 57044297) is N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1cc(-c2cncc(Br)c2)[nH]n1.
What is the InChIKey of N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is PAMPSESEFZNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O/c21-16-8-15(11-22-12-16)18-10-19(25-24-18)23-20(26)9-14-6-3-5-13-4-1-2-7-17(13)14/h1-8,10-12H,9H2,(H2,23,24,25,26).
What are the key properties of N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide?
N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 407.27 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 57044297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).