2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C22H25N3O2 — CID 134036059

IUPAC2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)18-9-11-20(12-10-18)27-16-21(26)23-13-17-14-24-25(15-17)19-7-5-4-6-8-19/h4-12,14-15H,13,16H2,1-3H3,(H,23,26)
InChIKeyKHZZSOQSWXRAQI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 134036059) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID134036059
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)18-9-11-20(12-10-18)27-16-21(26)23-13-17-14-24-25(15-17)19-7-5-4-6-8-19/h4-12,14-15H,13,16H2,1-3H3,(H,23,26)
InChIKeyKHZZSOQSWXRAQI-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36631288
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 25496915
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
2-(2-tert-butylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000816
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
2-(2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000654
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 134036059) is 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is KHZZSOQSWXRAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)18-9-11-20(12-10-18)27-16-21(26)23-13-17-14-24-25(15-17)19-7-5-4-6-8-19/h4-12,14-15H,13,16H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 134036059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).