2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide

C26H33N5O2 — CID 5033485

IUPAC2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCCCCNC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)CC(C)C
InChIInChI=1S/C26H33N5O2/c1-4-5-16-27-26(33)30(18-20(2)3)19-25(32)28-24-17-23(21-12-8-6-9-13-21)29-31(24)22-14-10-7-11-15-22/h6-15,17,20H,4-5,16,18-19H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyKCCYJJKBYMKZGG-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.95
Rot. Bonds10

About 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide

2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 5033485) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
PubChem CID5033485
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCCCCNC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)CC(C)C
InChIInChI=1S/C26H33N5O2/c1-4-5-16-27-26(33)30(18-20(2)3)19-25(32)28-24-17-23(21-12-8-6-9-13-21)29-31(24)22-14-10-7-11-15-22/h6-15,17,20H,4-5,16,18-19H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyKCCYJJKBYMKZGG-UHFFFAOYSA-N
XLogP4.95
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
ethyl 2-[[[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
CID 42732608
2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4225378
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350
ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
CID 42732122
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
CID 5107189
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4587676
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3992046
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712

Frequently Asked Questions

What is the IUPAC name of 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 5033485) is 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide is CCCCNC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)CC(C)C.
What is the InChIKey of 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The InChIKey is KCCYJJKBYMKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-4-5-16-27-26(33)30(18-20(2)3)19-25(32)28-24-17-23(21-12-8-6-9-13-21)29-31(24)22-14-10-7-11-15-22/h6-15,17,20H,4-5,16,18-19H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 447.58 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 5033485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).