[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate

C19H18N2O3 — CID 150185883

IUPAC[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
SMILESCOc1ccc(-n2nc(OC(C)=O)cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-4-6-15(7-5-13)18-12-19(24-14(2)22)20-21(18)16-8-10-17(23-3)11-9-16/h4-12H,1-3H3
InChIKeyFMKPBIIXIAUZIS-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.78
Rot. Bonds4

About [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate

[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate (PubChem CID 150185883) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
PubChem CID150185883
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
SMILESCOc1ccc(-n2nc(OC(C)=O)cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-4-6-15(7-5-13)18-12-19(24-14(2)22)20-21(18)16-8-10-17(23-3)11-9-16/h4-12H,1-3H3
InChIKeyFMKPBIIXIAUZIS-UHFFFAOYSA-N
XLogP3.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
CID 174579266
[acetyl-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]amino] acetate
CID 15461757
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate
CID 46901523
ethyl (E)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-3-(4-methylphenyl)prop-2-enoate
CID 14871154
N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]hydroxylamine
CID 15461756
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
ethyl (E)-3-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-enoate
CID 14871149
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate?
The IUPAC name of [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate (CID 150185883) is [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate?
The canonical SMILES for [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate is COc1ccc(-n2nc(OC(C)=O)cc2-c2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate?
The InChIKey is FMKPBIIXIAUZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-4-6-15(7-5-13)18-12-19(24-14(2)22)20-21(18)16-8-10-17(23-3)11-9-16/h4-12H,1-3H3.
What are the key properties of [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate?
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate has a molecular weight of 322.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate is sourced from PubChem (CID 150185883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).