2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide

C19H17Cl2N3O — CID 167935958

IUPAC2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
SMILESO=C(CCl)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O/c20-12-18(25)22-11-10-15-13-24(17-4-2-1-3-5-17)23-19(15)14-6-8-16(21)9-7-14/h1-9,13H,10-12H2,(H,22,25)
InChIKeyXJYPQMUMPMXWFC-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.09
Rot. Bonds6

About 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide

2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide (PubChem CID 167935958) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
PubChem CID167935958
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
SMILESO=C(CCl)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O/c20-12-18(25)22-11-10-15-13-24(17-4-2-1-3-5-17)23-19(15)14-6-8-16(21)9-7-14/h1-9,13H,10-12H2,(H,22,25)
InChIKeyXJYPQMUMPMXWFC-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]-4-(methylamino)butanamide
CID 119756780
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
CID 67048003
CID 67048003
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide
CID 119308013
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 47014475
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 134049672
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide
CID 70305179
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide (CID 167935958) is 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide is O=C(CCl)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide?
The InChIKey is XJYPQMUMPMXWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c20-12-18(25)22-11-10-15-13-24(17-4-2-1-3-5-17)23-19(15)14-6-8-16(21)9-7-14/h1-9,13H,10-12H2,(H,22,25).
What are the key properties of 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide?
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide has a molecular weight of 374.27 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 167935958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).