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

C12H14N4O2 — CID 43539721

IUPAC2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide
SMILESNCc1ccc(OCC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C12H14N4O2/c13-5-9-1-3-11(4-2-9)18-8-12(17)16-10-6-14-15-7-10/h1-4,6-7H,5,8,13H2,(H,14,15)(H,16,17)
InChIKeyQTPLOCZDVNGNSR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.89
Rot. Bonds5

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

2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43539721) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43539721
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide
SMILESNCc1ccc(OCC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C12H14N4O2/c13-5-9-1-3-11(4-2-9)18-8-12(17)16-10-6-14-15-7-10/h1-4,6-7H,5,8,13H2,(H,14,15)(H,16,17)
InChIKeyQTPLOCZDVNGNSR-UHFFFAOYSA-N
XLogP0.89
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide
CID 43430758
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 43540324
N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60506630
2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide
CID 107594623
2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
CID 63667624
2-[4-(aminomethyl)phenoxy]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281095
2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
CID 43429566
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide (CID 43539721) is 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide is NCc1ccc(OCC(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is QTPLOCZDVNGNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-5-9-1-3-11(4-2-9)18-8-12(17)16-10-6-14-15-7-10/h1-4,6-7H,5,8,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43539721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).