N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide

C15H20N4O — CID 126811237

IUPACN-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)Cc2cn[nH]c2)c1
InChIInChI=1S/C15H20N4O/c1-3-12-5-4-6-14(7-12)18-15(20)11-19(2)10-13-8-16-17-9-13/h4-9H,3,10-11H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyUOMSTRCPNSPZDP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds6

About N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide

N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide (PubChem CID 126811237) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide
PubChem CID126811237
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)Cc2cn[nH]c2)c1
InChIInChI=1S/C15H20N4O/c1-3-12-5-4-6-14(7-12)18-15(20)11-19(2)10-13-8-16-17-9-13/h4-9H,3,10-11H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyUOMSTRCPNSPZDP-UHFFFAOYSA-N
XLogP2.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43532955
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CID 126811732
2-[[2-(3-ethylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197882
N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
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N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200
N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438483
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 22194265

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide (CID 126811237) is N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide is CCc1cccc(NC(=O)CN(C)Cc2cn[nH]c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide?
The InChIKey is UOMSTRCPNSPZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12-5-4-6-14(7-12)18-15(20)11-19(2)10-13-8-16-17-9-13/h4-9H,3,10-11H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide?
N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 126811237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).