2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide

C15H20N4O2 — CID 107461981

IUPAC2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)cc1NC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C15H20N4O2/c1-3-13-14(9-19(2)18-13)17-15(20)10-21-12-6-4-11(8-16)5-7-12/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20)
InChIKeyAWBPJSUTBLBDKA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.46
Rot. Bonds6

About 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide (PubChem CID 107461981) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
PubChem CID107461981
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)cc1NC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C15H20N4O2/c1-3-13-14(9-19(2)18-13)17-15(20)10-21-12-6-4-11(8-16)5-7-12/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20)
InChIKeyAWBPJSUTBLBDKA-UHFFFAOYSA-N
XLogP1.46
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
2-amino-N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 107463145
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203
2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
CID 63667624
2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 115988923
2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide
CID 107594623
4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408899
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
2-[4-(aminomethyl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 43822965
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
CID 107463102
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide (CID 107461981) is 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide is CCc1nn(C)cc1NC(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The InChIKey is AWBPJSUTBLBDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-13-14(9-19(2)18-13)17-15(20)10-21-12-6-4-11(8-16)5-7-12/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 107461981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).