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

C24H22N2O5 — CID 19585888

IUPACmethyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)o1
InChIInChI=1S/C24H22N2O5/c1-28-18-8-4-6-16(12-18)21-14-22(17-7-5-9-19(13-17)29-2)26(25-21)15-20-10-11-23(31-20)24(27)30-3/h4-14H,15H2,1-3H3
InChIKeyGIEJITARNWEATH-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.66
Rot. Bonds7

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

methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate (PubChem CID 19585888) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
PubChem CID19585888
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Namemethyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)o1
InChIInChI=1S/C24H22N2O5/c1-28-18-8-4-6-16(12-18)21-14-22(17-7-5-9-19(13-17)29-2)26(25-21)15-20-10-11-23(31-20)24(27)30-3/h4-14H,15H2,1-3H3
InChIKeyGIEJITARNWEATH-UHFFFAOYSA-N
XLogP4.66
TPSA75.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[[3,5-bis(3-bromophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 19586233
3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586548
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
methyl 5-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate
CID 126837317
methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate
CID 134587090
methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585703
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928756
4-[[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]methyl]-3,5-dimethylbenzonitrile
CID 166359456
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 42644883
methyl 5-[[4-bromo-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 17025336

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate (CID 19585888) is methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)o1.
What is the InChIKey of methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate?
The InChIKey is GIEJITARNWEATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-28-18-8-4-6-16(12-18)21-14-22(17-7-5-9-19(13-17)29-2)26(25-21)15-20-10-11-23(31-20)24(27)30-3/h4-14H,15H2,1-3H3.
What are the key properties of methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate has a molecular weight of 418.45 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 19585888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).