2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H20N4O — CID 78815389

IUPAC2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNc1cccc2ccccc12
InChIInChI=1S/C18H20N4O/c1-12-18(13(2)22(3)21-12)20-17(23)11-19-16-10-6-8-14-7-4-5-9-15(14)16/h4-10,19H,11H2,1-3H3,(H,20,23)
InChIKeyPIYOWIDXCVNBMS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.24
Rot. Bonds4

About 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 78815389) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID78815389
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNc1cccc2ccccc12
InChIInChI=1S/C18H20N4O/c1-12-18(13(2)22(3)21-12)20-17(23)11-19-16-10-6-8-14-7-4-5-9-15(14)16/h4-10,19H,11H2,1-3H3,(H,20,23)
InChIKeyPIYOWIDXCVNBMS-UHFFFAOYSA-N
XLogP3.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine
CID 82536261
2-[2-(2-chlorophenoxy)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911711
N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78817610
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-naphthalen-1-ylacetate
CID 9412783
N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78815790
2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908844
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
2-(2-methylindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71690037
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 78815389) is 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CNc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PIYOWIDXCVNBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-18(13(2)22(3)21-12)20-17(23)11-19-16-10-6-8-14-7-4-5-9-15(14)16/h4-10,19H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 78815389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).