N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide

C24H22N4O3 — CID 49214185

IUPACN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)Cc3ccc4ccccc4c3)cn2)cc1
InChIInChI=1S/C24H22N4O3/c1-31-22-10-8-20(9-11-22)26-24(30)16-28-15-21(14-25-28)27-23(29)13-17-6-7-18-4-2-3-5-19(18)12-17/h2-12,14-15H,13,16H2,1H3,(H,26,30)(H,27,29)
InChIKeyZFCYGKJETQZYQE-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.86
Rot. Bonds7

About N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide

N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide (PubChem CID 49214185) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
PubChem CID49214185
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)Cc3ccc4ccccc4c3)cn2)cc1
InChIInChI=1S/C24H22N4O3/c1-31-22-10-8-20(9-11-22)26-24(30)16-28-15-21(14-25-28)27-23(29)13-17-6-7-18-4-2-3-5-19(18)12-17/h2-12,14-15H,13,16H2,1H3,(H,26,30)(H,27,29)
InChIKeyZFCYGKJETQZYQE-UHFFFAOYSA-N
XLogP3.86
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 49214142
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide
CID 143592435
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide
CID 56521772
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 49214206
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide (CID 49214185) is N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide is COc1ccc(NC(=O)Cn2cc(NC(=O)Cc3ccc4ccccc4c3)cn2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is ZFCYGKJETQZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-22-10-8-20(9-11-22)26-24(30)16-28-15-21(14-25-28)27-23(29)13-17-6-7-18-4-2-3-5-19(18)12-17/h2-12,14-15H,13,16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide?
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 414.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 49214185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).