2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide

C24H20ClN3O2 — CID 9162963

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1cccc(CO)c1
InChIInChI=1S/C24H20ClN3O2/c25-20-11-9-18(10-12-20)24-19(15-28(27-24)22-7-2-1-3-8-22)14-23(30)26-21-6-4-5-17(13-21)16-29/h1-13,15,29H,14,16H2,(H,26,30)
InChIKeyYILAYJZBRZSEGZ-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.87
Rot. Bonds6

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide (PubChem CID 9162963) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
PubChem CID9162963
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1cccc(CO)c1
InChIInChI=1S/C24H20ClN3O2/c25-20-11-9-18(10-12-20)24-19(15-28(27-24)22-7-2-1-3-8-22)14-23(30)26-21-6-4-5-17(13-21)16-29/h1-13,15,29H,14,16H2,(H,26,30)
InChIKeyYILAYJZBRZSEGZ-UHFFFAOYSA-N
XLogP4.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 67048003
CID 67048003
N-(3-acetamidophenyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 34756945
3-[4-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55839730
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572214
2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide
CID 11827067
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
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-[4-(dimethylamino)butan-2-yl]acetamide
CID 86945803
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 47014475

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide (CID 9162963) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide is O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1cccc(CO)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The InChIKey is YILAYJZBRZSEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-20-11-9-18(10-12-20)24-19(15-28(27-24)22-7-2-1-3-8-22)14-23(30)26-21-6-4-5-17(13-21)16-29/h1-13,15,29H,14,16H2,(H,26,30).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide has a molecular weight of 417.90 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 9162963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).