N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide

C15H17Cl2N3O — CID 15943506

IUPACN-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
SMILESCc1cc(C)n(CC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H17Cl2N3O/c1-9(8-20-11(3)6-10(2)19-20)15(21)18-12-4-5-13(16)14(17)7-12/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyPZQHZKVCNLUEPC-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.08
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide

N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide (PubChem CID 15943506) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
PubChem CID15943506
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
SMILESCc1cc(C)n(CC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H17Cl2N3O/c1-9(8-20-11(3)6-10(2)19-20)15(21)18-12-4-5-13(16)14(17)7-12/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyPZQHZKVCNLUEPC-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide (CID 15943506) is N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide is Cc1cc(C)n(CC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The InChIKey is PZQHZKVCNLUEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-9(8-20-11(3)6-10(2)19-20)15(21)18-12-4-5-13(16)14(17)7-12/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide has a molecular weight of 326.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 15943506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).