N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C16H21N3O — CID 23654833

IUPACN-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1ccc(CNC(=O)Cc2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C16H21N3O/c1-10-5-6-14(11(2)7-10)9-17-16(20)8-15-12(3)18-19-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyDOLGCAVYLUVCJC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.50
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 23654833) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID23654833
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1ccc(CNC(=O)Cc2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C16H21N3O/c1-10-5-6-14(11(2)7-10)9-17-16(20)8-15-12(3)18-19-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyDOLGCAVYLUVCJC-UHFFFAOYSA-N
XLogP2.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 23654833) is N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1ccc(CNC(=O)Cc2c(C)n[nH]c2C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is DOLGCAVYLUVCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-5-6-14(11(2)7-10)9-17-16(20)8-15-12(3)18-19-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 23654833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).