3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole

C87H115F7N10O — CID 160519059

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
SMILESC=C(C)c1cn(C(C)C)c2ccccc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)cc1C(F)(F)F.Cc1cc2c(cc1OCc1ccccc1)c(C(C)C)cn2C.Cc1ccc2ccn(C(C)C)c2c1
InChIInChI=1S/C20H23NO.C14H17N.C12H22N2.C12H15N.C11H11F2N.C9H11F5N2.C9H16N2/c1-14(2)18-12-21(4)19-10-15(3)20(11-17(18)19)22-13-16-8-6-5-7-9-16;1-10(2)13-9-15(11(3)4)14-8-6-5-7-12(13)14;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-5(2)16-7(9(12,13)14)4-6(15-16)8(3,10)11;1-7(2)9-10-5-6-11(9)8(3)4/h5-12,14H,13H2,1-4H3;5-9,11H,1H2,2-4H3;7-10H,1-6H3;4-9H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;5-8H,1-4H3
InChIKeyQUANOQBGJAUMJL-UHFFFAOYSA-N
MW1449.93 g/mol
LogP26.37
Rot. Bonds15

About 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole

3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole (PubChem CID 160519059) has the molecular formula C87H115F7N10O and a molecular weight of 1449.93 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
PubChem CID160519059
Molecular FormulaC87H115F7N10O
Molecular Weight1449.93 g/mol
Exact Mass1448.91
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
SMILESC=C(C)c1cn(C(C)C)c2ccccc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)cc1C(F)(F)F.Cc1cc2c(cc1OCc1ccccc1)c(C(C)C)cn2C.Cc1ccc2ccn(C(C)C)c2c1
InChIInChI=1S/C20H23NO.C14H17N.C12H22N2.C12H15N.C11H11F2N.C9H11F5N2.C9H16N2/c1-14(2)18-12-21(4)19-10-15(3)20(11-17(18)19)22-13-16-8-6-5-7-9-16;1-10(2)13-9-15(11(3)4)14-8-6-5-7-12(13)14;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-5(2)16-7(9(12,13)14)4-6(15-16)8(3,10)11;1-7(2)9-10-5-6-11(9)8(3)4/h5-12,14H,13H2,1-4H3;5-9,11H,1H2,2-4H3;7-10H,1-6H3;4-9H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;5-8H,1-4H3
InChIKeyQUANOQBGJAUMJL-UHFFFAOYSA-N
XLogP26.37
TPSA82.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001449.93
LogP ≤ 526.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole with MolForge

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Related Compounds

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1-[9-[(E)-4-[6-(1-aminoethenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-8-[[4-(trifluoromethyl)phenyl]methoxy]pyrimido[4,5-b]indol-9-yl]but-2-enyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indol-6-yl]ethenamine
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3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[4-(2-methoxypropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;2-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole (CID 160519059) is 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole is C=C(C)c1cn(C(C)C)c2ccccc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)cc1C(F)(F)F.Cc1cc2c(cc1OCc1ccccc1)c(C(C)C)cn2C.Cc1ccc2ccn(C(C)C)c2c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole?
The InChIKey is QUANOQBGJAUMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.C14H17N.C12H22N2.C12H15N.C11H11F2N.C9H11F5N2.C9H16N2/c1-14(2)18-12-21(4)19-10-15(3)20(11-17(18)19)22-13-16-8-6-5-7-9-16;1-10(2)13-9-15(11(3)4)14-8-6-5-7-12(13)14;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-5(2)16-7(9(12,13)14)4-6(15-16)8(3,10)11;1-7(2)9-10-5-6-11(9)8(3)4/h5-12,14H,13H2,1-4H3;5-9,11H,1H2,2-4H3;7-10H,1-6H3;4-9H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;5-8H,1-4H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole?
3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole has a molecular weight of 1449.93 g/mol, XLogP of 26.37, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-1-propan-2-ylindole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole is sourced from PubChem (CID 160519059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).