N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane

C33H37N5O3 — CID 170716231

IUPACN-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane
SMILESCC.CNC(=O)CN(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C31H31N5O3.C2H6/c1-32-29(37)22-35(25-17-19-34(20-18-25)30(38)24-13-7-3-8-14-24)31(39)27-21-28(23-11-5-2-6-12-23)36(33-27)26-15-9-4-10-16-26;1-2/h2-16,21,25H,17-20,22H2,1H3,(H,32,37);1-2H3
InChIKeyWYQGFFHTIIVTKU-UHFFFAOYSA-N
MW551.69 g/mol
LogP5.06
Rot. Bonds7

About N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane

N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane (PubChem CID 170716231) has the molecular formula C33H37N5O3 and a molecular weight of 551.69 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane
PubChem CID170716231
Molecular FormulaC33H37N5O3
Molecular Weight551.69 g/mol
Exact Mass551.29
IUPAC NameN-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane
SMILESCC.CNC(=O)CN(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C31H31N5O3.C2H6/c1-32-29(37)22-35(25-17-19-34(20-18-25)30(38)24-13-7-3-8-14-24)31(39)27-21-28(23-11-5-2-6-12-23)36(33-27)26-15-9-4-10-16-26;1-2/h2-16,21,25H,17-20,22H2,1H3,(H,32,37);1-2H3
InChIKeyWYQGFFHTIIVTKU-UHFFFAOYSA-N
XLogP5.06
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
4-(1,5-diphenylpyrazol-3-yl)-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486701
4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
CID 119183312
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one
CID 118215149
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 118215004
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide
CID 167951973
2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone
CID 155952705

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane (CID 170716231) is N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane is CC.CNC(=O)CN(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane?
The InChIKey is WYQGFFHTIIVTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3.C2H6/c1-32-29(37)22-35(25-17-19-34(20-18-25)30(38)24-13-7-3-8-14-24)31(39)27-21-28(23-11-5-2-6-12-23)36(33-27)26-15-9-4-10-16-26;1-2/h2-16,21,25H,17-20,22H2,1H3,(H,32,37);1-2H3.
What are the key properties of N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane?
N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane has a molecular weight of 551.69 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane is sourced from PubChem (CID 170716231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).