N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

C24H22N4O3 — CID 112814343

IUPACN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESCc1ccc(Cn2nccc2NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-18-5-7-19(8-6-18)16-28-22(13-15-26-28)27-23(29)17-30-20-9-11-21(12-10-20)31-24-4-2-3-14-25-24/h2-15H,16-17H2,1H3,(H,27,29)
InChIKeyRCRVFKREBBQTAQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.44
Rot. Bonds8

About N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 112814343) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
PubChem CID112814343
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESCc1ccc(Cn2nccc2NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-18-5-7-19(8-6-18)16-28-22(13-15-26-28)27-23(29)17-30-20-9-11-21(12-10-20)31-24-4-2-3-14-25-24/h2-15H,16-17H2,1H3,(H,27,29)
InChIKeyRCRVFKREBBQTAQ-UHFFFAOYSA-N
XLogP4.44
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806510
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
CID 43040304
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78806525

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (CID 112814343) is N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is Cc1ccc(Cn2nccc2NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is RCRVFKREBBQTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-18-5-7-19(8-6-18)16-28-22(13-15-26-28)27-23(29)17-30-20-9-11-21(12-10-20)31-24-4-2-3-14-25-24/h2-15H,16-17H2,1H3,(H,27,29).
What are the key properties of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide has a molecular weight of 414.47 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 112814343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).