N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide

C15H20N4O2 — CID 11173743

IUPACN-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn(CCN(C)C)[nH]c2=O)c1
InChIInChI=1S/C15H20N4O2/c1-11(20)16-13-6-4-5-12(9-13)14-10-19(17-15(14)21)8-7-18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyBJODBRBJLWWSOV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.36
Rot. Bonds5

About N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide

N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide (PubChem CID 11173743) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide
PubChem CID11173743
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn(CCN(C)C)[nH]c2=O)c1
InChIInChI=1S/C15H20N4O2/c1-11(20)16-13-6-4-5-12(9-13)14-10-19(17-15(14)21)8-7-18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyBJODBRBJLWWSOV-UHFFFAOYSA-N
XLogP1.36
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide (CID 11173743) is N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cn(CCN(C)C)[nH]c2=O)c1.
What is the InChIKey of N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide?
The InChIKey is BJODBRBJLWWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(20)16-13-6-4-5-12(9-13)14-10-19(17-15(14)21)8-7-18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide?
N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 11173743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).