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

C12H11Cl2N3O — CID 112691199

IUPAC2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-7-6-15-17-12(7)16-11(18)5-8-2-3-9(13)10(14)4-8/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyFVVCQIVTFALIPL-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.21
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide (PubChem CID 112691199) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
PubChem CID112691199
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-7-6-15-17-12(7)16-11(18)5-8-2-3-9(13)10(14)4-8/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyFVVCQIVTFALIPL-UHFFFAOYSA-N
XLogP3.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113236911
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630203
N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide
CID 112691354
3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691373
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629978
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
2-(2,4-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113253808
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide
CID 79503984
2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113253809
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide (CID 112691199) is 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide is Cc1cn[nH]c1NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is FVVCQIVTFALIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-6-15-17-12(7)16-11(18)5-8-2-3-9(13)10(14)4-8/h2-4,6H,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 284.15 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 112691199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).