3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide

C26H26N4O2 — CID 46042992

IUPAC3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc(-n2nc(C)c(CCC(=O)NCc3ccccn3)c2Oc2ccccc2)c1
InChIInChI=1S/C26H26N4O2/c1-19-9-8-11-22(17-19)30-26(32-23-12-4-3-5-13-23)24(20(2)29-30)14-15-25(31)28-18-21-10-6-7-16-27-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,31)
InChIKeyATAWGLOURVMSKG-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.93
Rot. Bonds8

About 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 46042992) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID46042992
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc(-n2nc(C)c(CCC(=O)NCc3ccccn3)c2Oc2ccccc2)c1
InChIInChI=1S/C26H26N4O2/c1-19-9-8-11-22(17-19)30-26(32-23-12-4-3-5-13-23)24(20(2)29-30)14-15-25(31)28-18-21-10-6-7-16-27-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,31)
InChIKeyATAWGLOURVMSKG-UHFFFAOYSA-N
XLogP4.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
CID 46042982
3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042924
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46042969
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 42850633
N-(furan-2-ylmethyl)-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 42796779
N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide
CID 42850660
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
N-(pyridin-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35511571
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 46042992) is 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1cccc(-n2nc(C)c(CCC(=O)NCc3ccccn3)c2Oc2ccccc2)c1.
What is the InChIKey of 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is ATAWGLOURVMSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-19-9-8-11-22(17-19)30-26(32-23-12-4-3-5-13-23)24(20(2)29-30)14-15-25(31)28-18-21-10-6-7-16-27-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,31).
What are the key properties of 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 426.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 46042992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).