1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide

C24H27N5O2 — CID 24568699

IUPAC1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2/c1-25-24(31)19-12-14-28(15-13-19)17-23(30)26-22-16-21(18-8-4-2-5-9-18)27-29(22)20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3,(H,25,31)(H,26,30)
InChIKeyNMDOHACOJYWAQH-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.94
Rot. Bonds6

About 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide

1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 24568699) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
PubChem CID24568699
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2/c1-25-24(31)19-12-14-28(15-13-19)17-23(30)26-22-16-21(18-8-4-2-5-9-18)27-29(22)20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3,(H,25,31)(H,26,30)
InChIKeyNMDOHACOJYWAQH-UHFFFAOYSA-N
XLogP2.94
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 47089990
2-(4-hydroxypiperidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 18196319
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 112773177
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 154749529
N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 38852056
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 36672610
(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 41188599
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772360
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111543790
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98157277

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide (CID 24568699) is 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)CC1.
What is the InChIKey of 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is NMDOHACOJYWAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-25-24(31)19-12-14-28(15-13-19)17-23(30)26-22-16-21(18-8-4-2-5-9-18)27-29(22)20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24568699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).