3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide

C20H23N3O2 — CID 97148707

IUPAC3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide
SMILESCOCCC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C
InChIInChI=1S/C20H23N3O2/c1-14(22-20(24)11-12-25-3)18-13-21-23(15(18)2)19-10-6-8-16-7-4-5-9-17(16)19/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyDFAFLOOZGLKLEK-AWEZNQCLSA-N
MW337.42 g/mol
LogP3.55
Rot. Bonds6

About 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide

3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide (PubChem CID 97148707) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide
PubChem CID97148707
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide
SMILESCOCCC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C
InChIInChI=1S/C20H23N3O2/c1-14(22-20(24)11-12-25-3)18-13-21-23(15(18)2)19-10-6-8-16-7-4-5-9-17(16)19/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyDFAFLOOZGLKLEK-AWEZNQCLSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
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N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide
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N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
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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-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide
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4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
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ethyl 2-[[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]carbamoylamino]acetate
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N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
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3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
CID 47089574
N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide
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N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide (CID 97148707) is 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide is COCCC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C.
What is the InChIKey of 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is DFAFLOOZGLKLEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(22-20(24)11-12-25-3)18-13-21-23(15(18)2)19-10-6-8-16-7-4-5-9-17(16)19/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide?
3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 97148707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).