2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide

C21H23N3O5 — CID 155909327

IUPAC2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCOc1ccc(Cn2nccc2NC(=O)COc2ccccc2)c(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-26-17-10-9-15(20(27-2)21(17)28-3)13-24-18(11-12-22-24)23-19(25)14-29-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,23,25)
InChIKeyJRRLAYTUAZMNFF-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.97
Rot. Bonds9

About 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide

2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 155909327) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID155909327
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCOc1ccc(Cn2nccc2NC(=O)COc2ccccc2)c(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-26-17-10-9-15(20(27-2)21(17)28-3)13-24-18(11-12-22-24)23-19(25)14-29-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,23,25)
InChIKeyJRRLAYTUAZMNFF-UHFFFAOYSA-N
XLogP2.97
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
CID 43040304
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559352
2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 43033838
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 43033841
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide (CID 155909327) is 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide is COc1ccc(Cn2nccc2NC(=O)COc2ccccc2)c(OC)c1OC.
What is the InChIKey of 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is JRRLAYTUAZMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-26-17-10-9-15(20(27-2)21(17)28-3)13-24-18(11-12-22-24)23-19(25)14-29-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide?
2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 155909327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).