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

C22H20N4O — CID 21262993

IUPACN-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide
SMILESCCc1cncc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1
InChIInChI=1S/C22H20N4O/c1-2-15-9-19(14-23-13-15)20-12-21(26-25-20)24-22(27)11-16-7-8-17-5-3-4-6-18(17)10-16/h3-10,12-14H,2,11H2,1H3,(H2,24,25,26,27)
InChIKeyRYYOORBSQSGQDG-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds5

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

N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide (PubChem CID 21262993) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide
PubChem CID21262993
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide
SMILESCCc1cncc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1
InChIInChI=1S/C22H20N4O/c1-2-15-9-19(14-23-13-15)20-12-21(26-25-20)24-22(27)11-16-7-8-17-5-3-4-6-18(17)10-16/h3-10,12-14H,2,11H2,1H3,(H2,24,25,26,27)
InChIKeyRYYOORBSQSGQDG-UHFFFAOYSA-N
XLogP4.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide (CID 21262993) is N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide is CCc1cncc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1.
What is the InChIKey of N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is RYYOORBSQSGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-15-9-19(14-23-13-15)20-12-21(26-25-20)24-22(27)11-16-7-8-17-5-3-4-6-18(17)10-16/h3-10,12-14H,2,11H2,1H3,(H2,24,25,26,27).
What are the key properties of N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide?
N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 356.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 21262993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).