methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate

C25H24N2O5S — CID 54270878

IUPACmethyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(OC)c2cc(-c3ccc(OC)cc3)n(-c3ccc(OC)cc3)n2)s1
InChIInChI=1S/C25H24N2O5S/c1-29-18-9-5-16(6-10-18)21-15-20(26-27(21)17-7-11-19(30-2)12-8-17)24(31-3)22-13-14-23(33-22)25(28)32-4/h5-15,24H,1-4H3
InChIKeyRKAMKSIJZFRNOP-UHFFFAOYSA-N
MW464.54 g/mol
LogP5.14
Rot. Bonds8

About methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate

methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate (PubChem CID 54270878) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate
PubChem CID54270878
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Namemethyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(OC)c2cc(-c3ccc(OC)cc3)n(-c3ccc(OC)cc3)n2)s1
InChIInChI=1S/C25H24N2O5S/c1-29-18-9-5-16(6-10-18)21-15-20(26-27(21)17-7-11-19(30-2)12-8-17)24(31-3)22-13-14-23(33-22)25(28)32-4/h5-15,24H,1-4H3
InChIKeyRKAMKSIJZFRNOP-UHFFFAOYSA-N
XLogP5.14
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde
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5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
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[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
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2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate (CID 54270878) is methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(OC)c2cc(-c3ccc(OC)cc3)n(-c3ccc(OC)cc3)n2)s1.
What is the InChIKey of methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate?
The InChIKey is RKAMKSIJZFRNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-29-18-9-5-16(6-10-18)21-15-20(26-27(21)17-7-11-19(30-2)12-8-17)24(31-3)22-13-14-23(33-22)25(28)32-4/h5-15,24H,1-4H3.
What are the key properties of methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate?
methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate has a molecular weight of 464.54 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-methoxymethyl]thiophene-2-carboxylate is sourced from PubChem (CID 54270878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).