N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C16H28F2N4 — CID 118688377

IUPACN'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC(CF)(CF)CC1
InChIInChI=1S/C16H28F2N4/c1-19-7-8-22(2)10-14-9-20-21-15(14)13-3-5-16(11-17,12-18)6-4-13/h9,13,19H,3-8,10-12H2,1-2H3,(H,20,21)
InChIKeyVAFOCXFQXMCFPX-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.64
Rot. Bonds8

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

N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 118688377) has the molecular formula C16H28F2N4 and a molecular weight of 314.42 g/mol. Its IUPAC name is N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID118688377
Molecular FormulaC16H28F2N4
Molecular Weight314.42 g/mol
Exact Mass314.23
IUPAC NameN'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC(CF)(CF)CC1
InChIInChI=1S/C16H28F2N4/c1-19-7-8-22(2)10-14-9-20-21-15(14)13-3-5-16(11-17,12-18)6-4-13/h9,13,19H,3-8,10-12H2,1-2H3,(H,20,21)
InChIKeyVAFOCXFQXMCFPX-UHFFFAOYSA-N
XLogP2.64
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine
CID 90462880
(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 14539778
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 47331709
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 53506695
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 56798039
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 56820931
2-[4-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
CID 96014510
GSK3368715 (hydrochloride)
CID 90462879
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
CID 53506694
3-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56741722
4-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56750914
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 56798038

Frequently Asked Questions

What is the IUPAC name of N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 118688377) is N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1C1CCC(CF)(CF)CC1.
What is the InChIKey of N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is VAFOCXFQXMCFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N4/c1-19-7-8-22(2)10-14-9-20-21-15(14)13-3-5-16(11-17,12-18)6-4-13/h9,13,19H,3-8,10-12H2,1-2H3,(H,20,21).
What are the key properties of N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 314.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[4,4-bis(fluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 118688377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).