2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide

C14H17N3O3 — CID 122571639

IUPAC2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide
SMILESCOc1cc(C)cc(OC)c1-c1cnn(CC(N)=O)c1
InChIInChI=1S/C14H17N3O3/c1-9-4-11(19-2)14(12(5-9)20-3)10-6-16-17(7-10)8-13(15)18/h4-7H,8H2,1-3H3,(H2,15,18)
InChIKeyJANWLZCSCJOHOQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.36
Rot. Bonds5

About 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide

2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide (PubChem CID 122571639) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide
PubChem CID122571639
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide
SMILESCOc1cc(C)cc(OC)c1-c1cnn(CC(N)=O)c1
InChIInChI=1S/C14H17N3O3/c1-9-4-11(19-2)14(12(5-9)20-3)10-6-16-17(7-10)8-13(15)18/h4-7H,8H2,1-3H3,(H2,15,18)
InChIKeyJANWLZCSCJOHOQ-UHFFFAOYSA-N
XLogP1.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid
CID 125435430
2-[4-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
CID 167022934
2-[4-(2-phenylphenyl)pyrazol-1-yl]acetamide
CID 121499014
2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]acetic acid
CID 82121885
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-bromo-5-methylbenzamide
CID 104852202
ethyl 2-[4-(3-cyano-5-methylphenyl)pyrazol-1-yl]acetate
CID 172989928
2-[4-[3-[1-[[6-amino-5-(3-methylpentan-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-2-ethoxy-6-methylphenyl]pyrazol-1-yl]acetamide
CID 123949162
4-[1-(cyanomethyl)pyrazol-4-yl]-2-methoxybenzamide
CID 167809005
2-[4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetic acid
CID 86722827
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044058
2-[4-(3-formyl-4-methoxy-5-methylphenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171919543
2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 171919853

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide (CID 122571639) is 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide is COc1cc(C)cc(OC)c1-c1cnn(CC(N)=O)c1.
What is the InChIKey of 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide?
The InChIKey is JANWLZCSCJOHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-4-11(19-2)14(12(5-9)20-3)10-6-16-17(7-10)8-13(15)18/h4-7H,8H2,1-3H3,(H2,15,18).
What are the key properties of 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide?
2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 122571639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).