N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C22H25N3O4 — CID 25404296

IUPACN-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)c(OC)c1OC
InChIInChI=1S/C22H25N3O4/c1-27-19-10-9-18(21(28-2)22(19)29-3)13-20(26)23-14-16-5-7-17(8-6-16)15-25-12-4-11-24-25/h4-12H,13-15H2,1-3H3,(H,23,26)
InChIKeyROQJQBBFAOSINT-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.82
Rot. Bonds9

About N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 25404296) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID25404296
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)c(OC)c1OC
InChIInChI=1S/C22H25N3O4/c1-27-19-10-9-18(21(28-2)22(19)29-3)13-20(26)23-14-16-5-7-17(8-6-16)15-25-12-4-11-24-25/h4-12H,13-15H2,1-3H3,(H,23,26)
InChIKeyROQJQBBFAOSINT-UHFFFAOYSA-N
XLogP2.82
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
(E)-3-(2,3-dimethoxyphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 16572112
2-methylsulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47125027
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8533572
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 47062005
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
3-(2,3-dimethylphenoxy)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55595653
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 41358025

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 25404296) is N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)c(OC)c1OC.
What is the InChIKey of N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is ROQJQBBFAOSINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-19-10-9-18(21(28-2)22(19)29-3)13-20(26)23-14-16-5-7-17(8-6-16)15-25-12-4-11-24-25/h4-12H,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 25404296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).