2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide

C14H18N4O2 — CID 43543203

IUPAC2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)COc2ccc(CN)cc2)cn1
InChIInChI=1S/C14H18N4O2/c1-2-18-9-12(8-16-18)17-14(19)10-20-13-5-3-11(7-15)4-6-13/h3-6,8-9H,2,7,10,15H2,1H3,(H,17,19)
InChIKeySLAJUFZYDWXQII-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.38
Rot. Bonds6

About 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 43543203) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
PubChem CID43543203
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)COc2ccc(CN)cc2)cn1
InChIInChI=1S/C14H18N4O2/c1-2-18-9-12(8-16-18)17-14(19)10-20-13-5-3-11(7-15)4-6-13/h3-6,8-9H,2,7,10,15H2,1H3,(H,17,19)
InChIKeySLAJUFZYDWXQII-UHFFFAOYSA-N
XLogP1.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide (CID 43543203) is 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)COc2ccc(CN)cc2)cn1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is SLAJUFZYDWXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-18-9-12(8-16-18)17-14(19)10-20-13-5-3-11(7-15)4-6-13/h3-6,8-9H,2,7,10,15H2,1H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.38, 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-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 43543203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).