N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

C19H18ClN3O — CID 18146630

IUPACN-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCC(NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O/c1-14(17-9-5-6-10-18(17)20)22-19(24)11-15-12-21-23(13-15)16-7-3-2-4-8-16/h2-10,12-14H,11H2,1H3,(H,22,24)
InChIKeyFDSMLFHSHPEMNL-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.95
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 18146630) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID18146630
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCC(NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O/c1-14(17-9-5-6-10-18(17)20)22-19(24)11-15-12-21-23(13-15)16-7-3-2-4-8-16/h2-10,12-14H,11H2,1H3,(H,22,24)
InChIKeyFDSMLFHSHPEMNL-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
methyl 3-(2-chlorophenyl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanoate
CID 51336055
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134053810
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 18287238
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
(2S)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 120615170
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 46514677
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 18146630) is N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is CC(NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is FDSMLFHSHPEMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-14(17-9-5-6-10-18(17)20)22-19(24)11-15-12-21-23(13-15)16-7-3-2-4-8-16/h2-10,12-14H,11H2,1H3,(H,22,24).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 339.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18146630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).