methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate

C30H29N3O3 — CID 68878035

IUPACmethyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate
SMILESCOC(=O)C(Cc1cc(-c2ccc(C)cc2)n(-c2ccc(OC)cc2)n1)c1cn(C)c2ccccc12
InChIInChI=1S/C30H29N3O3/c1-20-9-11-21(12-10-20)29-18-22(31-33(29)23-13-15-24(35-3)16-14-23)17-26(30(34)36-4)27-19-32(2)28-8-6-5-7-25(27)28/h5-16,18-19,26H,17H2,1-4H3
InChIKeyVBHVDXAJPNBTRR-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.85
Rot. Bonds7

About methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate

methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate (PubChem CID 68878035) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate
PubChem CID68878035
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Namemethyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate
SMILESCOC(=O)C(Cc1cc(-c2ccc(C)cc2)n(-c2ccc(OC)cc2)n1)c1cn(C)c2ccccc12
InChIInChI=1S/C30H29N3O3/c1-20-9-11-21(12-10-20)29-18-22(31-33(29)23-13-15-24(35-3)16-14-23)17-26(30(34)36-4)27-19-32(2)28-8-6-5-7-25(27)28/h5-16,18-19,26H,17H2,1-4H3
InChIKeyVBHVDXAJPNBTRR-UHFFFAOYSA-N
XLogP5.85
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[1-methoxy-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-1-oxopropan-2-yl]benzoate
CID 14871173
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
(2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid
CID 58630668
3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanal
CID 142851613
[3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoyl]oxyazanium
CID 147689393
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-propan-2-yloxyphenyl)propanoic acid
CID 10368331
3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide
CID 142851628
ethyl 3-[5-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoate
CID 23568904
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
CID 150185883
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N,2-dimethylpropanamide
CID 15002765
N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56602729

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate?
The IUPAC name of methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate (CID 68878035) is methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate.
What is the SMILES notation for methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate?
The canonical SMILES for methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate is COC(=O)C(Cc1cc(-c2ccc(C)cc2)n(-c2ccc(OC)cc2)n1)c1cn(C)c2ccccc12.
What is the InChIKey of methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate?
The InChIKey is VBHVDXAJPNBTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-20-9-11-21(12-10-20)29-18-22(31-33(29)23-13-15-24(35-3)16-14-23)17-26(30(34)36-4)27-19-32(2)28-8-6-5-7-25(27)28/h5-16,18-19,26H,17H2,1-4H3.
What are the key properties of methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate?
methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate has a molecular weight of 479.58 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(1-methylindol-3-yl)propanoate is sourced from PubChem (CID 68878035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).