N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide

C23H29N3O2 — CID 138993702

IUPACN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide
SMILESCCc1nn(C)c(CC)c1CNC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C23H29N3O2/c1-4-20-19(21(5-2)26(3)25-20)16-24-23(27)14-9-15-28-22-13-8-11-17-10-6-7-12-18(17)22/h6-8,10-13H,4-5,9,14-16H2,1-3H3,(H,24,27)
InChIKeyLTHAINROMPXUSZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.17
Rot. Bonds9

About N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide

N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 138993702) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide
PubChem CID138993702
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide
SMILESCCc1nn(C)c(CC)c1CNC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C23H29N3O2/c1-4-20-19(21(5-2)26(3)25-20)16-24-23(27)14-9-15-28-22-13-8-11-17-10-6-7-12-18(17)22/h6-8,10-13H,4-5,9,14-16H2,1-3H3,(H,24,27)
InChIKeyLTHAINROMPXUSZ-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.17
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

N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 60514201
4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
CID 138993042
2-[2-(4-naphthalen-1-yloxybutanoylamino)ethylsulfanyl]acetic acid
CID 119242654
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
CID 122182969
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
3-ethyl-1-methyl-N-(2-naphthalen-1-yloxyethyl)-4-nitropyrazol-5-amine
CID 133441156
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide
CID 46472167
7-[5-ethyl-1-methyl-3-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
CID 155123860

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide (CID 138993702) is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide is CCc1nn(C)c(CC)c1CNC(=O)CCCOc1cccc2ccccc12.
What is the InChIKey of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is LTHAINROMPXUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-20-19(21(5-2)26(3)25-20)16-24-23(27)14-9-15-28-22-13-8-11-17-10-6-7-12-18(17)22/h6-8,10-13H,4-5,9,14-16H2,1-3H3,(H,24,27).
What are the key properties of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide?
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 379.50 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 138993702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).