N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine

C18H32N4 — CID 139456561

IUPACN'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCCCC1)CCCC2
InChIInChI=1S/C18H32N4/c1-19-11-13-21(2)14-16-18(15-8-4-3-5-9-15)17-10-6-7-12-22(17)20-16/h15,19H,3-14H2,1-2H3
InChIKeyHXDBLFMCLFYCLC-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.92
Rot. Bonds6

About N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139456561) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139456561
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCCCC1)CCCC2
InChIInChI=1S/C18H32N4/c1-19-11-13-21(2)14-16-18(15-8-4-3-5-9-15)17-10-6-7-12-22(17)20-16/h15,19H,3-14H2,1-2H3
InChIKeyHXDBLFMCLFYCLC-UHFFFAOYSA-N
XLogP2.92
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 139456561) is N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1nn2c(c1C1CCCCC1)CCCC2.
What is the InChIKey of N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HXDBLFMCLFYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-19-11-13-21(2)14-16-18(15-8-4-3-5-9-15)17-10-6-7-12-22(17)20-16/h15,19H,3-14H2,1-2H3.
What are the key properties of N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 304.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139456561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).