methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate

C24H25F2N3O5 — CID 36811098

IUPACmethyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(OC)c(OC(F)F)c3)cc2)c1C
InChIInChI=1S/C24H25F2N3O5/c1-14-19(10-12-22(30)33-4)15(2)29(28-14)18-8-5-16(6-9-18)23(31)27-17-7-11-20(32-3)21(13-17)34-24(25)26/h5-9,11,13,24H,10,12H2,1-4H3,(H,27,31)
InChIKeyKAOZYHRRLBYMFN-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.46
Rot. Bonds9

About methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate

methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate (PubChem CID 36811098) has the molecular formula C24H25F2N3O5 and a molecular weight of 473.48 g/mol. Its IUPAC name is methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
PubChem CID36811098
Molecular FormulaC24H25F2N3O5
Molecular Weight473.48 g/mol
Exact Mass473.18
IUPAC Namemethyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(OC)c(OC(F)F)c3)cc2)c1C
InChIInChI=1S/C24H25F2N3O5/c1-14-19(10-12-22(30)33-4)15(2)29(28-14)18-8-5-16(6-9-18)23(31)27-17-7-11-20(32-3)21(13-17)34-24(25)26/h5-9,11,13,24H,10,12H2,1-4H3,(H,27,31)
InChIKeyKAOZYHRRLBYMFN-UHFFFAOYSA-N
XLogP4.46
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[1-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 60596692
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CID 26312265
methyl 3-[1-[4-[[4-(2,6-dioxopiperidin-1-yl)phenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 55706159
methyl 3-[1-[4-(dimethylaminocarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 9180457
methyl 3-[1-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 55513307
methyl 3-[3,5-dimethyl-1-[4-[[2-methyl-4-(methylcarbamoyl)phenyl]carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 46465185
methyl 3-[3,5-dimethyl-1-[4-[(2-propan-2-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 18228784
(2-amino-2-oxoethyl) 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 9065250
methyl 3-[1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 18275290
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 27556999
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
methyl 3-[1-[4-[dicyclopropylmethyl(methyl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate?
The IUPAC name of methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate (CID 36811098) is methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate is COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(OC)c(OC(F)F)c3)cc2)c1C.
What is the InChIKey of methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate?
The InChIKey is KAOZYHRRLBYMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O5/c1-14-19(10-12-22(30)33-4)15(2)29(28-14)18-8-5-16(6-9-18)23(31)27-17-7-11-20(32-3)21(13-17)34-24(25)26/h5-9,11,13,24H,10,12H2,1-4H3,(H,27,31).
What are the key properties of methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate?
methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate has a molecular weight of 473.48 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate is sourced from PubChem (CID 36811098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).