(2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid

C27H26N2O5 — CID 58630668

IUPAC(2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1ccc(-c2cc(C[C@@H](C(=O)O)c3cccc(OC)c3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26N2O5/c1-32-22-11-7-18(8-12-22)26-17-20(28-29(26)21-9-13-23(33-2)14-10-21)16-25(27(30)31)19-5-4-6-24(15-19)34-3/h4-15,17,25H,16H2,1-3H3,(H,30,31)/t25-/m1/s1
InChIKeyLIVQXTPWDUGTGM-RUZDIDTESA-N
MW458.51 g/mol
LogP4.98
Rot. Bonds9

About (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid

(2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid (PubChem CID 58630668) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid
PubChem CID58630668
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name(2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1ccc(-c2cc(C[C@@H](C(=O)O)c3cccc(OC)c3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26N2O5/c1-32-22-11-7-18(8-12-22)26-17-20(28-29(26)21-9-13-23(33-2)14-10-21)16-25(27(30)31)19-5-4-6-24(15-19)34-3/h4-15,17,25H,16H2,1-3H3,(H,30,31)/t25-/m1/s1
InChIKeyLIVQXTPWDUGTGM-RUZDIDTESA-N
XLogP4.98
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-propan-2-yloxyphenyl)propanoic acid
CID 10368331
2-(3-chlorophenyl)-3-[5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanoic acid
CID 59984388
[3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoyl]oxyazanium
CID 147689393
2-(3-methylphenyl)-3-[1-(4-methylphenyl)-5-[4-[methyl(propan-2-yl)amino]phenyl]pyrazol-3-yl]propanoic acid
CID 22171016
2-(3-methylphenyl)-3-[5-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]propanoic acid
CID 22171107
3-[1-(3,4-dichlorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-iodophenyl)propanoic acid
CID 10370933
methyl 2-[1-methoxy-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-1-oxopropan-2-yl]benzoate
CID 14871173
3-[5-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid
CID 11743963
3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanal
CID 142851613
(E)-5-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-4-(3-methylphenyl)pent-2-enoic acid
CID 22171026
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide
CID 142851628

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid (CID 58630668) is (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid is COc1ccc(-c2cc(C[C@@H](C(=O)O)c3cccc(OC)c3)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid?
The InChIKey is LIVQXTPWDUGTGM-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N2O5/c1-32-22-11-7-18(8-12-22)26-17-20(28-29(26)21-9-13-23(33-2)14-10-21)16-25(27(30)31)19-5-4-6-24(15-19)34-3/h4-15,17,25H,16H2,1-3H3,(H,30,31)/t25-/m1/s1.
What are the key properties of (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid?
(2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid has a molecular weight of 458.51 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 58630668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).