N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide

C15H20N4O2 — CID 61030494

IUPACN-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCOc1ccccc1N
InChIInChI=1S/C15H20N4O2/c1-10-14(11(2)19(3)18-10)15(20)17-8-9-21-13-7-5-4-6-12(13)16/h4-7H,8-9,16H2,1-3H3,(H,17,20)
InChIKeySGPQWLGIZBXBOT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.43
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 61030494) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID61030494
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCOc1ccccc1N
InChIInChI=1S/C15H20N4O2/c1-10-14(11(2)19(3)18-10)15(20)17-8-9-21-13-7-5-4-6-12(13)16/h4-7H,8-9,16H2,1-3H3,(H,17,20)
InChIKeySGPQWLGIZBXBOT-UHFFFAOYSA-N
XLogP1.43
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
N-[2-(2-bromoethoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 114309337
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
CID 51081065
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 115319552
N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
CID 81110880
1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide
CID 129370018
N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
CID 61031629
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702196
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 24610680

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 61030494) is N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCCOc1ccccc1N.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is SGPQWLGIZBXBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-14(11(2)19(3)18-10)15(20)17-8-9-21-13-7-5-4-6-12(13)16/h4-7H,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 61030494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).