2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide

C24H29N5O2 — CID 8772360

IUPAC2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCCCCc1ccc(-c2cc(NC(=O)CNCC(=O)NC)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H29N5O2/c1-3-4-8-18-11-13-19(14-12-18)21-15-22(27-24(31)17-26-16-23(30)25-2)29(28-21)20-9-6-5-7-10-20/h5-7,9-15,26H,3-4,8,16-17H2,1-2H3,(H,25,30)(H,27,31)
InChIKeyALIQKQZRYUGIRI-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.16
Rot. Bonds10

About 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide

2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 8772360) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
PubChem CID8772360
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCCCCc1ccc(-c2cc(NC(=O)CNCC(=O)NC)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H29N5O2/c1-3-4-8-18-11-13-19(14-12-18)21-15-22(27-24(31)17-26-16-23(30)25-2)29(28-21)20-9-6-5-7-10-20/h5-7,9-15,26H,3-4,8,16-17H2,1-2H3,(H,25,30)(H,27,31)
InChIKeyALIQKQZRYUGIRI-UHFFFAOYSA-N
XLogP3.16
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate
CID 2423143
2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986707
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
CID 5107189
ethyl 4-[butyl-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42732109
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 42732225
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 1062345
trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide
CID 92993597

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide (CID 8772360) is 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide is CCCCc1ccc(-c2cc(NC(=O)CNCC(=O)NC)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is ALIQKQZRYUGIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-4-8-18-11-13-19(14-12-18)21-15-22(27-24(31)17-26-16-23(30)25-2)29(28-21)20-9-6-5-7-10-20/h5-7,9-15,26H,3-4,8,16-17H2,1-2H3,(H,25,30)(H,27,31).
What are the key properties of 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 419.53 g/mol, XLogP of 3.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8772360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).