N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

C24H21N3O — CID 16613868

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C24H21N3O/c28-24(22-12-11-19-10-9-18-5-4-8-21(22)23(18)19)25-14-13-17-15-26-27(16-17)20-6-2-1-3-7-20/h1-8,11-12,15-16H,9-10,13-14H2,(H,25,28)
InChIKeyOMKWRHYAVXPBHF-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 16613868) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID16613868
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C24H21N3O/c28-24(22-12-11-19-10-9-18-5-4-8-21(22)23(18)19)25-14-13-17-15-26-27(16-17)20-6-2-1-3-7-20/h1-8,11-12,15-16H,9-10,13-14H2,(H,25,28)
InChIKeyOMKWRHYAVXPBHF-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2-chloro-4-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16613767
3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide
CID 16606726
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
2,4-difluoro-N-[4-oxo-4-[2-(1-phenylpyrazol-4-yl)ethylamino]butyl]benzamide
CID 134000738

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 16613868) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is OMKWRHYAVXPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c28-24(22-12-11-19-10-9-18-5-4-8-21(22)23(18)19)25-14-13-17-15-26-27(16-17)20-6-2-1-3-7-20/h1-8,11-12,15-16H,9-10,13-14H2,(H,25,28).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 16613868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).