2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide

C15H19N3O — CID 45106953

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-11-14(12(2)18-17-11)10-15(19)16-9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJVZBTKLQDVIAQD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.93
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 45106953) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID45106953
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-11-14(12(2)18-17-11)10-15(19)16-9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJVZBTKLQDVIAQD-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide (CID 45106953) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is JVZBTKLQDVIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-14(12(2)18-17-11)10-15(19)16-9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 45106953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).