N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide

C14H15Cl2N3O — CID 25061573

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
SMILESCc1cnn(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-9-7-18-19(2)13(9)6-14(20)17-8-10-3-4-11(15)5-12(10)16/h3-5,7H,6,8H2,1-2H3,(H,17,20)
InChIKeyQHVJIZPPOSJRMX-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.89
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide (PubChem CID 25061573) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
PubChem CID25061573
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
SMILESCc1cnn(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-9-7-18-19(2)13(9)6-14(20)17-8-10-3-4-11(15)5-12(10)16/h3-5,7H,6,8H2,1-2H3,(H,17,20)
InChIKeyQHVJIZPPOSJRMX-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide (CID 25061573) is N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide is Cc1cnn(C)c1CC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide?
The InChIKey is QHVJIZPPOSJRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-9-7-18-19(2)13(9)6-14(20)17-8-10-3-4-11(15)5-12(10)16/h3-5,7H,6,8H2,1-2H3,(H,17,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide has a molecular weight of 312.20 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide is sourced from PubChem (CID 25061573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).