2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C14H15Cl2N3O — CID 47097280

IUPAC2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-9(2)19-13(5-6-17-19)18-14(20)8-10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3,(H,18,20)
InChIKeyHVCKKKWUTDDEAW-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.95
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 47097280) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID47097280
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-9(2)19-13(5-6-17-19)18-14(20)8-10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3,(H,18,20)
InChIKeyHVCKKKWUTDDEAW-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183967
(E)-3-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 78772179
3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186764
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772185
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 47097280) is 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is HVCKKKWUTDDEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-9(2)19-13(5-6-17-19)18-14(20)8-10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3,(H,18,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 312.20 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 47097280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).