N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide

C26H25N3O5 — CID 43040304

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
SMILESCOc1cccc(Cn2nccc2NC(=O)COc2ccc(Oc3ccccc3)cc2)c1OC
InChIInChI=1S/C26H25N3O5/c1-31-23-10-6-7-19(26(23)32-2)17-29-24(15-16-27-29)28-25(30)18-33-20-11-13-22(14-12-20)34-21-8-4-3-5-9-21/h3-16H,17-18H2,1-2H3,(H,28,30)
InChIKeyNMPHANJRRWARIJ-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.76
Rot. Bonds10

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide (PubChem CID 43040304) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
PubChem CID43040304
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
SMILESCOc1cccc(Cn2nccc2NC(=O)COc2ccc(Oc3ccccc3)cc2)c1OC
InChIInChI=1S/C26H25N3O5/c1-31-23-10-6-7-19(26(23)32-2)17-29-24(15-16-27-29)28-25(30)18-33-20-11-13-22(14-12-20)34-21-8-4-3-5-9-21/h3-16H,17-18H2,1-2H3,(H,28,30)
InChIKeyNMPHANJRRWARIJ-UHFFFAOYSA-N
XLogP4.76
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 155909327
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 43033841
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 43033838
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55461115

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide (CID 43040304) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide is COc1cccc(Cn2nccc2NC(=O)COc2ccc(Oc3ccccc3)cc2)c1OC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is NMPHANJRRWARIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-31-23-10-6-7-19(26(23)32-2)17-29-24(15-16-27-29)28-25(30)18-33-20-11-13-22(14-12-20)34-21-8-4-3-5-9-21/h3-16H,17-18H2,1-2H3,(H,28,30).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 459.50 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 43040304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).