3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide

C24H27N3O2 — CID 46042893

IUPAC3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1ccc(C)cc1
InChIInChI=1S/C24H27N3O2/c1-5-16-25-23(28)15-14-21-19(4)26-27(22-9-7-6-8-18(22)3)24(21)29-20-12-10-17(2)11-13-20/h5-13H,1,14-16H2,2-4H3,(H,25,28)
InChIKeyXTOJSHFGJRJWLV-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.82
Rot. Bonds8

About 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide

3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide (PubChem CID 46042893) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
PubChem CID46042893
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1ccc(C)cc1
InChIInChI=1S/C24H27N3O2/c1-5-16-25-23(28)15-14-21-19(4)26-27(22-9-7-6-8-18(22)3)24(21)29-20-12-10-17(2)11-13-20/h5-13H,1,14-16H2,2-4H3,(H,25,28)
InChIKeyXTOJSHFGJRJWLV-UHFFFAOYSA-N
XLogP4.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 46042628
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 42850633
N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide
CID 46042918
N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide
CID 42850619
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042924
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 46042695
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042992
N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042503

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide (CID 46042893) is 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1ccc(C)cc1.
What is the InChIKey of 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The InChIKey is XTOJSHFGJRJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-16-25-23(28)15-14-21-19(4)26-27(22-9-7-6-8-18(22)3)24(21)29-20-12-10-17(2)11-13-20/h5-13H,1,14-16H2,2-4H3,(H,25,28).
What are the key properties of 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide has a molecular weight of 389.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 46042893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).