2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide

C25H32N4O — CID 155815083

IUPAC2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)Cc1cc(CN(C)CC(=O)NCCc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H32N4O/c1-20(2)16-24-17-22(27-29(24)23-12-8-5-9-13-23)18-28(3)19-25(30)26-15-14-21-10-6-4-7-11-21/h4-13,17,20H,14-16,18-19H2,1-3H3,(H,26,30)
InChIKeySDPJYSKUFBKVQP-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.86
Rot. Bonds10

About 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide

2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 155815083) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide
PubChem CID155815083
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)Cc1cc(CN(C)CC(=O)NCCc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H32N4O/c1-20(2)16-24-17-22(27-29(24)23-12-8-5-9-13-23)18-28(3)19-25(30)26-15-14-21-10-6-4-7-11-21/h4-13,17,20H,14-16,18-19H2,1-3H3,(H,26,30)
InChIKeySDPJYSKUFBKVQP-UHFFFAOYSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide (CID 155815083) is 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide is CC(C)Cc1cc(CN(C)CC(=O)NCCc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is SDPJYSKUFBKVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-20(2)16-24-17-22(27-29(24)23-12-8-5-9-13-23)18-28(3)19-25(30)26-15-14-21-10-6-4-7-11-21/h4-13,17,20H,14-16,18-19H2,1-3H3,(H,26,30).
What are the key properties of 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide?
2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 404.56 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 155815083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).