N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C20H31N5 — CID 46961456

IUPACN'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccnc1)Cc1cnn(C2CCCCC2)c1
InChIInChI=1S/C20H31N5/c1-23(2)11-12-24(15-18-7-6-10-21-13-18)16-19-14-22-25(17-19)20-8-4-3-5-9-20/h6-7,10,13-14,17,20H,3-5,8-9,11-12,15-16H2,1-2H3
InChIKeyQNUQTKQOAZNIIJ-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.35
Rot. Bonds8

About N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 46961456) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID46961456
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC NameN'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccnc1)Cc1cnn(C2CCCCC2)c1
InChIInChI=1S/C20H31N5/c1-23(2)11-12-24(15-18-7-6-10-21-13-18)16-19-14-22-25(17-19)20-8-4-3-5-9-20/h6-7,10,13-14,17,20H,3-5,8-9,11-12,15-16H2,1-2H3
InChIKeyQNUQTKQOAZNIIJ-UHFFFAOYSA-N
XLogP3.35
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42521827
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 46967252
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 46967251
N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818049
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43817991
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 42198636
(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 104901002
1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45232683

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 46961456) is N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1cccnc1)Cc1cnn(C2CCCCC2)c1.
What is the InChIKey of N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is QNUQTKQOAZNIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-23(2)11-12-24(15-18-7-6-10-21-13-18)16-19-14-22-25(17-19)20-8-4-3-5-9-20/h6-7,10,13-14,17,20H,3-5,8-9,11-12,15-16H2,1-2H3.
What are the key properties of N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 341.50 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46961456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).