2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide

C16H22N4O2 — CID 22194265

IUPAC2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCn1cc(CN(C)CC(=O)Nc2cccc(OC)c2)cn1
InChIInChI=1S/C16H22N4O2/c1-4-20-11-13(9-17-20)10-19(2)12-16(21)18-14-6-5-7-15(8-14)22-3/h5-9,11H,4,10,12H2,1-3H3,(H,18,21)
InChIKeyPSJYUCBFAJOWHP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.98
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide

2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 22194265) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID22194265
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCn1cc(CN(C)CC(=O)Nc2cccc(OC)c2)cn1
InChIInChI=1S/C16H22N4O2/c1-4-20-11-13(9-17-20)10-19(2)12-16(21)18-14-6-5-7-15(8-14)22-3/h5-9,11H,4,10,12H2,1-3H3,(H,18,21)
InChIKeyPSJYUCBFAJOWHP-UHFFFAOYSA-N
XLogP1.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide
CID 22194251
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 31379931
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489
N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438483
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide (CID 22194265) is 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide is CCn1cc(CN(C)CC(=O)Nc2cccc(OC)c2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is PSJYUCBFAJOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-20-11-13(9-17-20)10-19(2)12-16(21)18-14-6-5-7-15(8-14)22-3/h5-9,11H,4,10,12H2,1-3H3,(H,18,21).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 22194265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).