N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane

C17H31F3N4O — CID 145047784

IUPACN'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane
SMILESCNCCN(C)Cc1cn[nH]c1C1CCCCC1.COCC(F)(F)F
InChIInChI=1S/C14H26N4.C3H5F3O/c1-15-8-9-18(2)11-13-10-16-17-14(13)12-6-4-3-5-7-12;1-7-2-3(4,5)6/h10,12,15H,3-9,11H2,1-2H3,(H,16,17);2H2,1H3
InChIKeyRXAKXOUHBBXEKK-UHFFFAOYSA-N
MW364.46 g/mol
LogP3.30
Rot. Bonds7

About N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane

N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane (PubChem CID 145047784) has the molecular formula C17H31F3N4O and a molecular weight of 364.46 g/mol. Its IUPAC name is N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane.

Molecular Properties

Compound NameN'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane
PubChem CID145047784
Molecular FormulaC17H31F3N4O
Molecular Weight364.46 g/mol
Exact Mass364.24
IUPAC NameN'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane
SMILESCNCCN(C)Cc1cn[nH]c1C1CCCCC1.COCC(F)(F)F
InChIInChI=1S/C14H26N4.C3H5F3O/c1-15-8-9-18(2)11-13-10-16-17-14(13)12-6-4-3-5-7-12;1-7-2-3(4,5)6/h10,12,15H,3-9,11H2,1-2H3,(H,16,17);2H2,1H3
InChIKeyRXAKXOUHBBXEKK-UHFFFAOYSA-N
XLogP3.30
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane?
The IUPAC name of N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane (CID 145047784) is N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane.
What is the SMILES notation for N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane?
The canonical SMILES for N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane is CNCCN(C)Cc1cn[nH]c1C1CCCCC1.COCC(F)(F)F.
What is the InChIKey of N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane?
The InChIKey is RXAKXOUHBBXEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4.C3H5F3O/c1-15-8-9-18(2)11-13-10-16-17-14(13)12-6-4-3-5-7-12;1-7-2-3(4,5)6/h10,12,15H,3-9,11H2,1-2H3,(H,16,17);2H2,1H3.
What are the key properties of N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane?
N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane has a molecular weight of 364.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane is sourced from PubChem (CID 145047784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).