2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

C20H21N3O2 — CID 46424038

IUPAC2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-7-9-19(10-8-15)25-16(2)20(24)22-18-6-3-5-17(13-18)14-23-12-4-11-21-23/h3-13,16H,14H2,1-2H3,(H,22,24)
InChIKeyWEDNFCJTDAWPHH-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 46424038) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID46424038
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-7-9-19(10-8-15)25-16(2)20(24)22-18-6-3-5-17(13-18)14-23-12-4-11-21-23/h3-13,16H,14H2,1-2H3,(H,22,24)
InChIKeyWEDNFCJTDAWPHH-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 55617134
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55953640
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
ethyl 2-[3-(pyrazol-1-ylmethyl)anilino]propanoate
CID 56805806
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39696626
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19564335

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 46424038) is 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2cccc(Cn3cccn3)c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is WEDNFCJTDAWPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-7-9-19(10-8-15)25-16(2)20(24)22-18-6-3-5-17(13-18)14-23-12-4-11-21-23/h3-13,16H,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 46424038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).