N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide

C20H24F3N5O2 — CID 69468630

IUPACN-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide
SMILESCn1nccc1NC(=O)CN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1
InChIInChI=1S/C20H24F3N5O2/c1-27-18(5-6-25-27)26-19(29)12-28-10-16-15(17(16)11-28)9-24-8-13-3-2-4-14(7-13)30-20(21,22)23/h2-7,15-17,24H,8-12H2,1H3,(H,26,29)
InChIKeyCHUAHZIPHLFZNV-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.22
Rot. Bonds8

About N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide

N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide (PubChem CID 69468630) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide
PubChem CID69468630
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC NameN-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide
SMILESCn1nccc1NC(=O)CN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1
InChIInChI=1S/C20H24F3N5O2/c1-27-18(5-6-25-27)26-19(29)12-28-10-16-15(17(16)11-28)9-24-8-13-3-2-4-14(7-13)30-20(21,22)23/h2-7,15-17,24H,8-12H2,1H3,(H,26,29)
InChIKeyCHUAHZIPHLFZNV-UHFFFAOYSA-N
XLogP2.22
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 68777875
1-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 69469538
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;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-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 69470887
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-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1,3-thiazole-4-carboxylic acid
CID 162621716
1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
CID 162542269
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
[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide
CID 154495139
[3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide
CID 158192963

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide (CID 69468630) is N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide is Cn1nccc1NC(=O)CN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide?
The InChIKey is CHUAHZIPHLFZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-27-18(5-6-25-27)26-19(29)12-28-10-16-15(17(16)11-28)9-24-8-13-3-2-4-14(7-13)30-20(21,22)23/h2-7,15-17,24H,8-12H2,1H3,(H,26,29).
What are the key properties of N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide?
N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide has a molecular weight of 423.44 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-2-[6-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide is sourced from PubChem (CID 69468630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).