N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide

C14H18N4O2 — CID 96669522

IUPACN-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(-c2cc(CN)[nH]n2)cc1NC(C)=O
InChIInChI=1S/C14H18N4O2/c1-3-20-14-5-4-10(6-13(14)16-9(2)19)12-7-11(8-15)17-18-12/h4-7H,3,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPBBRHYJXNZLWHX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.89
Rot. Bonds5

About N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide

N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide (PubChem CID 96669522) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide
PubChem CID96669522
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(-c2cc(CN)[nH]n2)cc1NC(C)=O
InChIInChI=1S/C14H18N4O2/c1-3-20-14-5-4-10(6-13(14)16-9(2)19)12-7-11(8-15)17-18-12/h4-7H,3,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPBBRHYJXNZLWHX-UHFFFAOYSA-N
XLogP1.89
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide
CID 82484529
N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide
CID 96668388
N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 50751701
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
N-[5-[3-(aminomethyl)pyrazin-2-yl]-2-methoxyphenyl]acetamide
CID 96668386
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[2,5-diethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 1428113
N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55982116
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide?
The IUPAC name of N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide (CID 96669522) is N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide?
The canonical SMILES for N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide is CCOc1ccc(-c2cc(CN)[nH]n2)cc1NC(C)=O.
What is the InChIKey of N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide?
The InChIKey is PBBRHYJXNZLWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-14-5-4-10(6-13(14)16-9(2)19)12-7-11(8-15)17-18-12/h4-7H,3,8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide?
N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide is sourced from PubChem (CID 96669522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).