N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide

C15H19N3O — CID 70498647

IUPACN-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
SMILESCCc1cccc(C)c1N(Cn1cccn1)C(C)=O
InChIInChI=1S/C15H19N3O/c1-4-14-8-5-7-12(2)15(14)18(13(3)19)11-17-10-6-9-16-17/h5-10H,4,11H2,1-3H3
InChIKeyYLNHGDNGYUORQV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.76
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide

N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide (PubChem CID 70498647) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
PubChem CID70498647
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
SMILESCCc1cccc(C)c1N(Cn1cccn1)C(C)=O
InChIInChI=1S/C15H19N3O/c1-4-14-8-5-7-12(2)15(14)18(13(3)19)11-17-10-6-9-16-17/h5-10H,4,11H2,1-3H3
InChIKeyYLNHGDNGYUORQV-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoacetic acid
CID 86290103
N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride
CID 70467726
N-(acetamidomethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide;2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 67899906
N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide
CID 95705929
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113169422
2,3-dichloro-N-(2,6-diethylphenyl)-N'-(2-ethyl-6-methylphenyl)-N,N'-bis(1,2,4-triazol-1-ylmethyl)butanediamide
CID 70512134
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493
2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
CID 19604920
2-(N-acetyl-2-ethyl-6-methylanilino)-N-propan-2-ylacetamide
CID 113169400
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113125572
2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide
CID 19805763
sodium 2-oxo-2-[N-(pyrazol-1-ylmethyl)-2,6-bis(trideuteriomethyl)anilino]ethanesulfonate
CID 156613467

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide (CID 70498647) is N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide is CCc1cccc(C)c1N(Cn1cccn1)C(C)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The InChIKey is YLNHGDNGYUORQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-14-8-5-7-12(2)15(14)18(13(3)19)11-17-10-6-9-16-17/h5-10H,4,11H2,1-3H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide is sourced from PubChem (CID 70498647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).