N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide

C17H17N3O — CID 115594855

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
SMILESCc1[nH]nc(NC(=O)Cc2cccc3ccccc23)c1C
InChIInChI=1S/C17H17N3O/c1-11-12(2)19-20-17(11)18-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyLQHIDCVRYFVQFC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.36
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide (PubChem CID 115594855) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
PubChem CID115594855
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
SMILESCc1[nH]nc(NC(=O)Cc2cccc3ccccc23)c1C
InChIInChI=1S/C17H17N3O/c1-11-12(2)19-20-17(11)18-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyLQHIDCVRYFVQFC-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 112687368
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-pyridin-2-ylacetamide
CID 104620045
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide
CID 29209063
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 86848927
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide
CID 115610254
2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide
CID 168933549

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide (CID 115594855) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide is Cc1[nH]nc(NC(=O)Cc2cccc3ccccc23)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is LQHIDCVRYFVQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-12(2)19-20-17(11)18-16(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 115594855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).