N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide

C21H23N3O3 — CID 135092129

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESCOCC(NC(=O)CCC(=O)c1cccc2ccccc12)c1ccnn1C
InChIInChI=1S/C21H23N3O3/c1-24-19(12-13-22-24)18(14-27-2)23-21(26)11-10-20(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,23,26)
InChIKeyWDUJPORKOKOTAY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.04
Rot. Bonds8

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide (PubChem CID 135092129) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide
PubChem CID135092129
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESCOCC(NC(=O)CCC(=O)c1cccc2ccccc12)c1ccnn1C
InChIInChI=1S/C21H23N3O3/c1-24-19(12-13-22-24)18(14-27-2)23-21(26)11-10-20(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,23,26)
InChIKeyWDUJPORKOKOTAY-UHFFFAOYSA-N
XLogP3.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide (CID 135092129) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide is COCC(NC(=O)CCC(=O)c1cccc2ccccc12)c1ccnn1C.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide?
The InChIKey is WDUJPORKOKOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24-19(12-13-22-24)18(14-27-2)23-21(26)11-10-20(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide has a molecular weight of 365.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide is sourced from PubChem (CID 135092129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).