N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine

C16H28N4 — CID 139456609

IUPACN'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCCC1)CCC2
InChIInChI=1S/C16H28N4/c1-17-9-11-19(2)12-14-16(13-6-3-4-7-13)15-8-5-10-20(15)18-14/h13,17H,3-12H2,1-2H3
InChIKeyIABKSBFNMQGUTL-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.14
Rot. Bonds6

About N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139456609) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139456609
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCCC1)CCC2
InChIInChI=1S/C16H28N4/c1-17-9-11-19(2)12-14-16(13-6-3-4-7-13)15-8-5-10-20(15)18-14/h13,17H,3-12H2,1-2H3
InChIKeyIABKSBFNMQGUTL-UHFFFAOYSA-N
XLogP2.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 139456609) is N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1nn2c(c1C1CCCC1)CCC2.
What is the InChIKey of N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is IABKSBFNMQGUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-17-9-11-19(2)12-14-16(13-6-3-4-7-13)15-8-5-10-20(15)18-14/h13,17H,3-12H2,1-2H3.
What are the key properties of N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139456609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).