5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

C20H21N3O3 — CID 56759334

IUPAC5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1OCc1cc(C(=O)NCCc2ccccc2)n[nH]1
InChIInChI=1S/C20H21N3O3/c1-25-18-9-5-6-10-19(18)26-14-16-13-17(23-22-16)20(24)21-12-11-15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,21,24)(H,22,23)
InChIKeyONOMVMVXOYJKFZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.97
Rot. Bonds8

About 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56759334) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
PubChem CID56759334
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1OCc1cc(C(=O)NCCc2ccccc2)n[nH]1
InChIInChI=1S/C20H21N3O3/c1-25-18-9-5-6-10-19(18)26-14-16-13-17(23-22-16)20(24)21-12-11-15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,21,24)(H,22,23)
InChIKeyONOMVMVXOYJKFZ-UHFFFAOYSA-N
XLogP2.97
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56760151
N-(2-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749610
N-[(2S)-2-hydroxybutyl]-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 95191354
5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42148026
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 39431668
5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 56872415
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
N-(2-acetamidoethyl)-5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56747146
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56744159
5-[(2-fluorophenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56755768

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (CID 56759334) is 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is COc1ccccc1OCc1cc(C(=O)NCCc2ccccc2)n[nH]1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ONOMVMVXOYJKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-18-9-5-6-10-19(18)26-14-16-13-17(23-22-16)20(24)21-12-11-15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56759334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).