N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide

C18H14Cl2FN3O — CID 24525272

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2FN3O/c19-15-5-2-6-16(20)14(15)11-24-17(7-8-22-24)23-18(25)10-12-3-1-4-13(21)9-12/h1-9H,10-11H2,(H,23,25)
InChIKeyDBVYVCDYDGBAQU-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.56
Rot. Bonds5

About N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 24525272) has the molecular formula C18H14Cl2FN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
PubChem CID24525272
Molecular FormulaC18H14Cl2FN3O
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2FN3O/c19-15-5-2-6-16(20)14(15)11-24-17(7-8-22-24)23-18(25)10-12-3-1-4-13(21)9-12/h1-9H,10-11H2,(H,23,25)
InChIKeyDBVYVCDYDGBAQU-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
2-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 134589150
[7-(2,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450098
[7-(3,5-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450099
4-chloro-N-(1-phenylpyrazol-3-yl)benzamide
CID 810450
N-(1-benzyl-1H-pyrazol-3-yl)-3-fluorobenzamide
CID 1509639
N-(1-benzyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 6458316
N-{1-[1-(4-chlorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790157
N-[1-(1-benzyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide
CID 24790604

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide (CID 24525272) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)Nc1ccnn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is DBVYVCDYDGBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O/c19-15-5-2-6-16(20)14(15)11-24-17(7-8-22-24)23-18(25)10-12-3-1-4-13(21)9-12/h1-9H,10-11H2,(H,23,25).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 378.23 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 24525272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).