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

C13H16N4O2 — CID 54982506

IUPAC2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESNCc1ccccc1OCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H16N4O2/c14-5-11-3-1-2-4-12(11)19-9-13(18)15-6-10-7-16-17-8-10/h1-4,7-8H,5-6,9,14H2,(H,15,18)(H,16,17)
InChIKeyWAPINZCZFVPTDP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.56
Rot. Bonds6

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

2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 54982506) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID54982506
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESNCc1ccccc1OCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H16N4O2/c14-5-11-3-1-2-4-12(11)19-9-13(18)15-6-10-7-16-17-8-10/h1-4,7-8H,5-6,9,14H2,(H,15,18)(H,16,17)
InChIKeyWAPINZCZFVPTDP-UHFFFAOYSA-N
XLogP0.56
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735799
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64517211
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63295676
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 62877321
methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate
CID 107211898
2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 54982506) is 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide is NCc1ccccc1OCC(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is WAPINZCZFVPTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-5-11-3-1-2-4-12(11)19-9-13(18)15-6-10-7-16-17-8-10/h1-4,7-8H,5-6,9,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 54982506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).