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

C24H27N3O3 — CID 42850633

IUPAC3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1cccc(OC)c1
InChIInChI=1S/C24H27N3O3/c1-5-14-25-23(28)13-12-22-18(3)26-27(19-9-6-8-17(2)15-19)24(22)30-21-11-7-10-20(16-21)29-4/h5-11,15-16H,1,12-14H2,2-4H3,(H,25,28)
InChIKeyBWUUTBYAEPDCAR-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.52
Rot. Bonds9

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

3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide (PubChem CID 42850633) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
PubChem CID42850633
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1cccc(OC)c1
InChIInChI=1S/C24H27N3O3/c1-5-14-25-23(28)13-12-22-18(3)26-27(19-9-6-8-17(2)15-19)24(22)30-21-11-7-10-20(16-21)29-4/h5-11,15-16H,1,12-14H2,2-4H3,(H,25,28)
InChIKeyBWUUTBYAEPDCAR-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

3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 46042628
3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46042969
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]-1-morpholin-4-ylpropan-1-one
CID 42850635
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042992
N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
CID 46042982
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
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-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46042713
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110373154
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide (CID 42850633) is 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1cccc(OC)c1.
What is the InChIKey of 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The InChIKey is BWUUTBYAEPDCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-14-25-23(28)13-12-22-18(3)26-27(19-9-6-8-17(2)15-19)24(22)30-21-11-7-10-20(16-21)29-4/h5-11,15-16H,1,12-14H2,2-4H3,(H,25,28).
What are the key properties of 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)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-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 42850633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).