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

C24H27N3O3 — CID 46042628

IUPAC3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1C
InChIInChI=1S/C24H27N3O3/c1-5-16-25-23(28)15-14-21-18(3)26-27(19-10-12-20(29-4)13-11-19)24(21)30-22-9-7-6-8-17(22)2/h5-13H,1,14-16H2,2-4H3,(H,25,28)
InChIKeyFQDJFCJKZAIIJD-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.52
Rot. Bonds9

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

3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide (PubChem CID 46042628) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide
PubChem CID46042628
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1C
InChIInChI=1S/C24H27N3O3/c1-5-16-25-23(28)15-14-21-18(3)26-27(19-10-12-20(29-4)13-11-19)24(21)30-22-9-7-6-8-17(22)2/h5-13H,1,14-16H2,2-4H3,(H,25,28)
InChIKeyFQDJFCJKZAIIJD-UHFFFAOYSA-N
XLogP4.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
CID 46042471
3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 46042893
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 42850633
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042503
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 46042535
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 46042695
N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide
CID 42850619
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042576

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide (CID 46042628) is 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1C.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The InChIKey is FQDJFCJKZAIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-16-25-23(28)15-14-21-18(3)26-27(19-10-12-20(29-4)13-11-19)24(21)30-22-9-7-6-8-17(22)2/h5-13H,1,14-16H2,2-4H3,(H,25,28).
What are the key properties of 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide?
3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide has a molecular weight of 405.50 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 46042628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).