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

C14H15Cl2N3O — CID 23654745

IUPACN-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-8-13(9(2)19-18-8)6-14(20)17-7-10-3-11(15)5-12(16)4-10/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZSKBSZYXFDTXEJ-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.19
Rot. Bonds4

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

N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 23654745) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID23654745
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-8-13(9(2)19-18-8)6-14(20)17-7-10-3-11(15)5-12(16)4-10/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZSKBSZYXFDTXEJ-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 23654745) is N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is ZSKBSZYXFDTXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8-13(9(2)19-18-8)6-14(20)17-7-10-3-11(15)5-12(16)4-10/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 312.20 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 23654745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).