2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

C22H21N3O2 — CID 22176957

IUPAC2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)c1ccccc1-c1ccc(CC(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C22H21N3O2/c1-14(26)18-4-2-3-5-19(18)16-8-6-15(7-9-16)12-22(27)23-21-13-20(24-25-21)17-10-11-17/h2-9,13,17H,10-12H2,1H3,(H2,23,24,25,27)
InChIKeyUOGNPQNNJLCDBA-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (PubChem CID 22176957) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
PubChem CID22176957
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)c1ccccc1-c1ccc(CC(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C22H21N3O2/c1-14(26)18-4-2-3-5-19(18)16-8-6-15(7-9-16)12-22(27)23-21-13-20(24-25-21)17-10-11-17/h2-9,13,17H,10-12H2,1H3,(H2,23,24,25,27)
InChIKeyUOGNPQNNJLCDBA-UHFFFAOYSA-N
XLogP4.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide
CID 22176895
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)phenyl]acetamide
CID 10180567
2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176703
4-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]benzoic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]acetamide
CID 160580866
N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 22177019
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 75362957
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 22176888
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 22176952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-hydroxydibenzofuran-3-yl)acetamide
CID 22176723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (CID 22176957) is 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is CC(=O)c1ccccc1-c1ccc(CC(=O)Nc2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UOGNPQNNJLCDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14(26)18-4-2-3-5-19(18)16-8-6-15(7-9-16)12-22(27)23-21-13-20(24-25-21)17-10-11-17/h2-9,13,17H,10-12H2,1H3,(H2,23,24,25,27).
What are the key properties of 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 22176957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).