N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide

C14H17N3O — CID 113251561

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
SMILESCCc1cn[nH]c1NC(=O)Cc1ccccc1C
InChIInChI=1S/C14H17N3O/c1-3-11-9-15-17-14(11)16-13(18)8-12-7-5-4-6-10(12)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyQWZSNMJUTQOOMX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds4

About N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide

N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide (PubChem CID 113251561) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
PubChem CID113251561
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
SMILESCCc1cn[nH]c1NC(=O)Cc1ccccc1C
InChIInChI=1S/C14H17N3O/c1-3-11-9-15-17-14(11)16-13(18)8-12-7-5-4-6-10(12)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyQWZSNMJUTQOOMX-UHFFFAOYSA-N
XLogP2.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide (CID 113251561) is N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide is CCc1cn[nH]c1NC(=O)Cc1ccccc1C.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is QWZSNMJUTQOOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-11-9-15-17-14(11)16-13(18)8-12-7-5-4-6-10(12)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113251561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).