2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide

C22H22N4O2 — CID 69379888

IUPAC2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide
SMILESO=C(Nc1cn[nH]c1C(=O)N1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21(19(16-9-3-1-4-10-16)17-11-5-2-6-12-17)24-18-15-23-25-20(18)22(28)26-13-7-8-14-26/h1-6,9-12,15,19H,7-8,13-14H2,(H,23,25)(H,24,27)
InChIKeyZBASJXLXOFFENW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.42
Rot. Bonds5

About 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide

2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 69379888) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide
PubChem CID69379888
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide
SMILESO=C(Nc1cn[nH]c1C(=O)N1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-21(19(16-9-3-1-4-10-16)17-11-5-2-6-12-17)24-18-15-23-25-20(18)22(28)26-13-7-8-14-26/h1-6,9-12,15,19H,7-8,13-14H2,(H,23,25)(H,24,27)
InChIKeyZBASJXLXOFFENW-UHFFFAOYSA-N
XLogP3.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2,2-diphenylacetamide
CID 4939344
2,2-diphenyl-N-[4-(piperazine-1-carbonyl)phenyl]acetamide
CID 70153616
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide
CID 7892275
N-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-pyrazole-4-carboxamide
CID 4063626
N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide
CID 2247470
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 110420849
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,2-diphenylacetamide
CID 23937725
3-amino-2-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119760322
1-(azocan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone
CID 10177885
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide (CID 69379888) is 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide is O=C(Nc1cn[nH]c1C(=O)N1CCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is ZBASJXLXOFFENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(19(16-9-3-1-4-10-16)17-11-5-2-6-12-17)24-18-15-23-25-20(18)22(28)26-13-7-8-14-26/h1-6,9-12,15,19H,7-8,13-14H2,(H,23,25)(H,24,27).
What are the key properties of 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide?
2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 69379888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).