N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide

C15H19N3O2 — CID 50975165

IUPACN-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(OCCN(C)C(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c1-3-12-4-6-13(7-5-12)20-11-10-18(2)15(19)14-8-9-16-17-14/h4-9H,3,10-11H2,1-2H3,(H,16,17)
InChIKeyHTZXZBQUVHRPRP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.12
Rot. Bonds6

About N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide

N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 50975165) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID50975165
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(OCCN(C)C(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c1-3-12-4-6-13(7-5-12)20-11-10-18(2)15(19)14-8-9-16-17-14/h4-9H,3,10-11H2,1-2H3,(H,16,17)
InChIKeyHTZXZBQUVHRPRP-UHFFFAOYSA-N
XLogP2.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 70181889
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-[methyl(1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 43172441
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 47335197
N-(2-chloro-3-methoxypropyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63398167
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
3-(4-fluorophenoxy)propyl 1H-pyrazole-5-carboxylate
CID 46459521
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 50975165) is N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide is CCc1ccc(OCCN(C)C(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is HTZXZBQUVHRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-12-4-6-13(7-5-12)20-11-10-18(2)15(19)14-8-9-16-17-14/h4-9H,3,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50975165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).