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

C21H25N3O2 — CID 72837455

IUPACN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C
InChIInChI=1S/C21H25N3O2/c1-4-12-26-14-21(25)23-15(2)19-13-22-24(16(19)3)20-11-7-9-17-8-5-6-10-18(17)20/h5-11,13,15H,4,12,14H2,1-3H3,(H,23,25)
InChIKeyMLWDTPFCISMNCA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.94
Rot. Bonds7

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

N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide (PubChem CID 72837455) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide
PubChem CID72837455
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C
InChIInChI=1S/C21H25N3O2/c1-4-12-26-14-21(25)23-15(2)19-13-22-24(16(19)3)20-11-7-9-17-8-5-6-10-18(17)20/h5-11,13,15H,4,12,14H2,1-3H3,(H,23,25)
InChIKeyMLWDTPFCISMNCA-UHFFFAOYSA-N
XLogP3.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508
3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide
CID 97148707
2-amino-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 97119383
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
CID 72886463
ethyl 2-[[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]carbamoylamino]acetate
CID 42193857
4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 26337109
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide
CID 45235266
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-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide
CID 42518205
2-ethoxy-6-[[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethylamino]methyl]phenol
CID 45236071

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide?
The IUPAC name of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide (CID 72837455) is N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide.
What is the SMILES notation for N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide?
The canonical SMILES for N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide is CCCOCC(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C.
What is the InChIKey of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide?
The InChIKey is MLWDTPFCISMNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-12-26-14-21(25)23-15(2)19-13-22-24(16(19)3)20-11-7-9-17-8-5-6-10-18(17)20/h5-11,13,15H,4,12,14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide?
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide has a molecular weight of 351.45 g/mol, XLogP of 3.94, 7 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-propoxyacetamide is sourced from PubChem (CID 72837455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).