N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide

C20H21N3O3 — CID 131900391

IUPACN-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCc2ccnn2C)cc1
InChIInChI=1S/C20H21N3O3/c1-23-16(13-14-21-23)9-12-20(24)22-15-7-10-17(11-8-15)26-19-6-4-3-5-18(19)25-2/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,22,24)
InChIKeyXFSLBPGHGXDZAN-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.79
Rot. Bonds7

About N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 131900391) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID131900391
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCc2ccnn2C)cc1
InChIInChI=1S/C20H21N3O3/c1-23-16(13-14-21-23)9-12-20(24)22-15-7-10-17(11-8-15)26-19-6-4-3-5-18(19)25-2/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,22,24)
InChIKeyXFSLBPGHGXDZAN-UHFFFAOYSA-N
XLogP3.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenoxy]butanoic acid
CID 120530793
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylimidazol-1-yl)propanamide
CID 131931945
2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
CID 120537812
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 27901791
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 166304475
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 131900391) is N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide is COc1ccccc1Oc1ccc(NC(=O)CCc2ccnn2C)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is XFSLBPGHGXDZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23-16(13-14-21-23)9-12-20(24)22-15-7-10-17(11-8-15)26-19-6-4-3-5-18(19)25-2/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 131900391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).