1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine

C20H25F3N4O — CID 69469538

IUPAC1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCc1c(CN2CC3C(CNCc4cccc(OC(F)(F)F)c4)C3C2)cnn1C
InChIInChI=1S/C20H25F3N4O/c1-13-15(8-25-26(13)2)10-27-11-18-17(19(18)12-27)9-24-7-14-4-3-5-16(6-14)28-20(21,22)23/h3-6,8,17-19,24H,7,9-12H2,1-2H3
InChIKeyVJNREEJNXRWPAV-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.09
Rot. Bonds7

About 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine

1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 69469538) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID69469538
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCc1c(CN2CC3C(CNCc4cccc(OC(F)(F)F)c4)C3C2)cnn1C
InChIInChI=1S/C20H25F3N4O/c1-13-15(8-25-26(13)2)10-27-11-18-17(19(18)12-27)9-24-7-14-4-3-5-16(6-14)28-20(21,22)23/h3-6,8,17-19,24H,7,9-12H2,1-2H3
InChIKeyVJNREEJNXRWPAV-UHFFFAOYSA-N
XLogP3.09
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine with MolForge

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Related Compounds

1-[3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 69470902
1-[3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 69470887
1-[3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 68777875
N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide
CID 69468630
1-[3-[(3,5-difluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
CID 171929246
1-methylimidazole-4-carboxylic acid;1-[3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 171929212
1-[3-[(2-ethyl-1H-imidazol-5-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
CID 171927146
1-methylimidazole-4-carboxylic acid;N-methyl-N-(2-phenylethyl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide
CID 162622463
1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
CID 162542269
[3-[(3,5-dimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide
CID 159966552
1-[3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1,3-thiazole-4-carboxylic acid
CID 162621716
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95160740

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine (CID 69469538) is 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine is Cc1c(CN2CC3C(CNCc4cccc(OC(F)(F)F)c4)C3C2)cnn1C.
What is the InChIKey of 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is VJNREEJNXRWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-13-15(8-25-26(13)2)10-27-11-18-17(19(18)12-27)9-24-7-14-4-3-5-16(6-14)28-20(21,22)23/h3-6,8,17-19,24H,7,9-12H2,1-2H3.
What are the key properties of 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 394.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 69469538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).