2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide

C26H32N4O2 — CID 37245468

IUPAC2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H32N4O2/c1-18(2)17-30-20(4)23(19(3)29-30)16-25(31)28-24-13-9-8-12-22(24)26(32)27-15-14-21-10-6-5-7-11-21/h5-13,18H,14-17H2,1-4H3,(H,27,32)(H,28,31)
InChIKeyXYOTUZALUHDYFP-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.31
Rot. Bonds9

About 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 37245468) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID37245468
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H32N4O2/c1-18(2)17-30-20(4)23(19(3)29-30)16-25(31)28-24-13-9-8-12-22(24)26(32)27-15-14-21-10-6-5-7-11-21/h5-13,18H,14-17H2,1-4H3,(H,27,32)(H,28,31)
InChIKeyXYOTUZALUHDYFP-UHFFFAOYSA-N
XLogP4.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide
CID 55466110
2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
CID 119218316
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55413192
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35277586
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 36838601
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439959
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
2-chloro-N-[2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]ethyl]benzamide
CID 39112466
N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46447663
N-(2-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 32559945
5-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-methylbenzoic acid
CID 119255166
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide (CID 37245468) is 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide is Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is XYOTUZALUHDYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18(2)17-30-20(4)23(19(3)29-30)16-25(31)28-24-13-9-8-12-22(24)26(32)27-15-14-21-10-6-5-7-11-21/h5-13,18H,14-17H2,1-4H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 432.57 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 37245468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).