3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one

C105H114N16O12 — CID 158944218

IUPAC3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3c2cnn3C)n1.CC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3cnn(C)c23)n1.CC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3ncn(C)c23)n1.CCn1ncc2cccc(-n3nc(COC(C)(C)C(C)=O)cc3-c3cccc(OC4CC4)c3)c21
InChIInChI=1S/C27H30N4O3.3C26H28N4O3/c1-5-30-26-20(16-28-30)9-7-11-24(26)31-25(15-21(29-31)17-33-27(3,4)18(2)32)19-8-6-10-23(14-19)34-22-12-13-22;1-17(31)26(2,3)32-16-20-14-24(18-7-5-9-22(13-18)33-21-11-12-21)30(28-20)23-10-6-8-19-15-27-29(4)25(19)23;1-17(31)26(2,3)32-16-19-14-25(18-7-5-8-21(13-18)33-20-11-12-20)30(28-19)24-10-6-9-23-22(24)15-27-29(23)4;1-17(31)26(2,3)32-15-19-14-24(18-7-5-8-21(13-18)33-20-11-12-20)30(28-19)23-10-6-9-22-25(23)29(4)16-27-22/h6-11,14-16,22H,5,12-13,17H2,1-4H3;5-10,13-15,21H,11-12,16H2,1-4H3;5-10,13-15,20H,11-12,16H2,1-4H3;5-10,13-14,16,20H,11-12,15H2,1-4H3
InChIKeyJKPTYATYFXQPCG-UHFFFAOYSA-N
MW1792.17 g/mol
LogP19.89
Rot. Bonds33

About 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one

3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one (PubChem CID 158944218) has the molecular formula C105H114N16O12 and a molecular weight of 1792.17 g/mol. Its IUPAC name is 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one.

Molecular Properties

Compound Name3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one
PubChem CID158944218
Molecular FormulaC105H114N16O12
Molecular Weight1792.17 g/mol
Exact Mass1790.88
IUPAC Name3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3c2cnn3C)n1.CC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3cnn(C)c23)n1.CC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3ncn(C)c23)n1.CCn1ncc2cccc(-n3nc(COC(C)(C)C(C)=O)cc3-c3cccc(OC4CC4)c3)c21
InChIInChI=1S/C27H30N4O3.3C26H28N4O3/c1-5-30-26-20(16-28-30)9-7-11-24(26)31-25(15-21(29-31)17-33-27(3,4)18(2)32)19-8-6-10-23(14-19)34-22-12-13-22;1-17(31)26(2,3)32-16-20-14-24(18-7-5-9-22(13-18)33-21-11-12-21)30(28-20)23-10-6-8-19-15-27-29(4)25(19)23;1-17(31)26(2,3)32-16-19-14-25(18-7-5-8-21(13-18)33-20-11-12-20)30(28-19)24-10-6-9-23-22(24)15-27-29(23)4;1-17(31)26(2,3)32-15-19-14-24(18-7-5-8-21(13-18)33-20-11-12-20)30(28-19)23-10-6-9-22-25(23)29(4)16-27-22/h6-11,14-16,22H,5,12-13,17H2,1-4H3;5-10,13-15,21H,11-12,16H2,1-4H3;5-10,13-15,20H,11-12,16H2,1-4H3;5-10,13-14,16,20H,11-12,15H2,1-4H3
InChIKeyJKPTYATYFXQPCG-UHFFFAOYSA-N
XLogP19.89
TPSA284.68 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.17
LogP ≤ 519.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one?
The IUPAC name of 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one (CID 158944218) is 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one.
What is the SMILES notation for 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one?
The canonical SMILES for 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one is CC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3c2cnn3C)n1.CC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3cnn(C)c23)n1.CC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3ncn(C)c23)n1.CCn1ncc2cccc(-n3nc(COC(C)(C)C(C)=O)cc3-c3cccc(OC4CC4)c3)c21.
What is the InChIKey of 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one?
The InChIKey is JKPTYATYFXQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3.3C26H28N4O3/c1-5-30-26-20(16-28-30)9-7-11-24(26)31-25(15-21(29-31)17-33-27(3,4)18(2)32)19-8-6-10-23(14-19)34-22-12-13-22;1-17(31)26(2,3)32-16-20-14-24(18-7-5-9-22(13-18)33-21-11-12-21)30(28-20)23-10-6-8-19-15-27-29(4)25(19)23;1-17(31)26(2,3)32-16-19-14-25(18-7-5-8-21(13-18)33-20-11-12-20)30(28-19)24-10-6-9-23-22(24)15-27-29(23)4;1-17(31)26(2,3)32-15-19-14-24(18-7-5-8-21(13-18)33-20-11-12-20)30(28-19)23-10-6-9-22-25(23)29(4)16-27-22/h6-11,14-16,22H,5,12-13,17H2,1-4H3;5-10,13-15,21H,11-12,16H2,1-4H3;5-10,13-15,20H,11-12,16H2,1-4H3;5-10,13-14,16,20H,11-12,15H2,1-4H3.
What are the key properties of 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one?
3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one has a molecular weight of 1792.17 g/mol, XLogP of 19.89, 33 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-cyclopropyloxyphenyl)-1-(1-ethylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(3-methylbenzimidazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one is sourced from PubChem (CID 158944218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).