N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide

C20H21N3O2 — CID 72886463

IUPACN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
SMILESCCC(=O)C(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C
InChIInChI=1S/C20H21N3O2/c1-4-19(24)20(25)22-13(2)17-12-21-23(14(17)3)18-11-7-9-15-8-5-6-10-16(15)18/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyFYCKSJXSHNBMKT-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide

N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide (PubChem CID 72886463) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
PubChem CID72886463
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
SMILESCCC(=O)C(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C
InChIInChI=1S/C20H21N3O2/c1-4-19(24)20(25)22-13(2)17-12-21-23(14(17)3)18-11-7-9-15-8-5-6-10-16(15)18/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyFYCKSJXSHNBMKT-UHFFFAOYSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
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2-amino-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 97119383
3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide
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N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide
CID 72837455
ethyl 2-[[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]carbamoylamino]acetate
CID 42193857
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide
CID 45235266
4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 26337109
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide
CID 25280971
N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 25369331
N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide
CID 42518205
(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 42458001
2-ethoxy-6-[[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethylamino]methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide?
The IUPAC name of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide (CID 72886463) is N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide.
What is the SMILES notation for N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide?
The canonical SMILES for N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide is CCC(=O)C(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C.
What is the InChIKey of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide?
The InChIKey is FYCKSJXSHNBMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-19(24)20(25)22-13(2)17-12-21-23(14(17)3)18-11-7-9-15-8-5-6-10-16(15)18/h5-13H,4H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide?
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide has a molecular weight of 335.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide is sourced from PubChem (CID 72886463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).