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

C14H24F2N4 — CID 118688421

IUPACN'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC(F)(F)CC1
InChIInChI=1S/C14H24F2N4/c1-17-7-8-20(2)10-12-9-18-19-13(12)11-3-5-14(15,16)6-4-11/h9,11,17H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyRPIZEBSBICASRO-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.35
Rot. Bonds6

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

N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 118688421) has the molecular formula C14H24F2N4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID118688421
Molecular FormulaC14H24F2N4
Molecular Weight286.37 g/mol
Exact Mass286.20
IUPAC NameN'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC(F)(F)CC1
InChIInChI=1S/C14H24F2N4/c1-17-7-8-20(2)10-12-9-18-19-13(12)11-3-5-14(15,16)6-4-11/h9,11,17H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyRPIZEBSBICASRO-UHFFFAOYSA-N
XLogP2.35
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-(3-methyl-1H-pyrazol-4-yl)piperidine
CID 82414450
(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]-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
2-[4-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
CID 96014510
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730745
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
(5S)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]spiro[5.5]undecan-5-amine
CID 99783572
4-pentyl-5-(trifluoromethyl)-1H-pyrazole
CID 67153901

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 118688421) is N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1C1CCC(F)(F)CC1.
What is the InChIKey of N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is RPIZEBSBICASRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N4/c1-17-7-8-20(2)10-12-9-18-19-13(12)11-3-5-14(15,16)6-4-11/h9,11,17H,3-8,10H2,1-2H3,(H,18,19).
What are the key properties of N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 286.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 118688421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).