N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C69H82F6N10O3 — CID 158905003

IUPACN-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1cc(OCc2ccccc2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(Oc2ccccc2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(Oc2ccncc2)cc(C(C)(F)F)c1
InChIInChI=1S/C24H29F2N3O.C23H27F2N3O.C22H26F2N4O/c1-4-5-11-29(3)16-20-15-27-28-23(20)19-12-21(24(2,25)26)14-22(13-19)30-17-18-9-7-6-8-10-18;1-4-5-11-28(3)16-18-15-26-27-22(18)17-12-19(23(2,24)25)14-21(13-17)29-20-9-7-6-8-10-20;1-4-5-10-28(3)15-17-14-26-27-21(17)16-11-18(22(2,23)24)13-20(12-16)29-19-6-8-25-9-7-19/h6-10,12-15H,4-5,11,16-17H2,1-3H3,(H,27,28);6-10,12-15H,4-5,11,16H2,1-3H3,(H,26,27);6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27)
InChIKeyJFXXOIQTAYOXFX-UHFFFAOYSA-N
MW1213.47 g/mol
LogP17.82
Rot. Bonds28

About N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 158905003) has the molecular formula C69H82F6N10O3 and a molecular weight of 1213.47 g/mol. Its IUPAC name is N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID158905003
Molecular FormulaC69H82F6N10O3
Molecular Weight1213.47 g/mol
Exact Mass1212.65
IUPAC NameN-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1cc(OCc2ccccc2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(Oc2ccccc2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(Oc2ccncc2)cc(C(C)(F)F)c1
InChIInChI=1S/C24H29F2N3O.C23H27F2N3O.C22H26F2N4O/c1-4-5-11-29(3)16-20-15-27-28-23(20)19-12-21(24(2,25)26)14-22(13-19)30-17-18-9-7-6-8-10-18;1-4-5-11-28(3)16-18-15-26-27-22(18)17-12-19(23(2,24)25)14-21(13-17)29-20-9-7-6-8-10-20;1-4-5-10-28(3)15-17-14-26-27-21(17)16-11-18(22(2,23)24)13-20(12-16)29-19-6-8-25-9-7-19/h6-10,12-15H,4-5,11,16-17H2,1-3H3,(H,27,28);6-10,12-15H,4-5,11,16H2,1-3H3,(H,26,27);6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27)
InChIKeyJFXXOIQTAYOXFX-UHFFFAOYSA-N
XLogP17.82
TPSA136.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.47
LogP ≤ 517.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine with MolForge

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Related Compounds

2-Methyl-5-[1-[(3-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(3-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
CID 44530461
LolCDE-IN-1
CID 118720981
4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine
CID 177374956
2-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110267636
N,N'-dimethyl-N'-[[5-[3-pyridin-4-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117615937
N,N'-dimethyl-N'-[[5-[3-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117615959
N'-[[3-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-[2-methyl-4-[4-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-methyl-3-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)phenoxy]propyl]pyrazol-4-yl]-2-(trifluoromethyl)phenoxy]butyl]pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 123241962
N,N'-dimethyl-N'-[[1-[4-[3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)phenoxy]cyclohexyl]-3-[3-pyridin-4-yloxy-5-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 123242099
4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]pyridine
CID 134329156
3-[4-[(1Z)-1-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]buta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(3-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridine
CID 137033240
2-[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137033936
2-[3-fluoro-5-[2-[5-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137033940

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 158905003) is N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1cc(OCc2ccccc2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(Oc2ccccc2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(Oc2ccncc2)cc(C(C)(F)F)c1.
What is the InChIKey of N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is JFXXOIQTAYOXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O.C23H27F2N3O.C22H26F2N4O/c1-4-5-11-29(3)16-20-15-27-28-23(20)19-12-21(24(2,25)26)14-22(13-19)30-17-18-9-7-6-8-10-18;1-4-5-11-28(3)16-18-15-26-27-22(18)17-12-19(23(2,24)25)14-21(13-17)29-20-9-7-6-8-10-20;1-4-5-10-28(3)15-17-14-26-27-21(17)16-11-18(22(2,23)24)13-20(12-16)29-19-6-8-25-9-7-19/h6-10,12-15H,4-5,11,16-17H2,1-3H3,(H,27,28);6-10,12-15H,4-5,11,16H2,1-3H3,(H,26,27);6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27).
What are the key properties of N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1213.47 g/mol, XLogP of 17.82, 28 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(1,1-difluoroethyl)-5-phenoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-phenylmethoxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-pyridin-4-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 158905003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).