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

C17H30N4 — CID 139456552

IUPACN'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCCCC1)CCC2
InChIInChI=1S/C17H30N4/c1-18-10-12-20(2)13-15-17(14-7-4-3-5-8-14)16-9-6-11-21(16)19-15/h14,18H,3-13H2,1-2H3
InChIKeyDICKVPVLKDVBPQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.53
Rot. Bonds6

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

N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139456552) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139456552
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCCCC1)CCC2
InChIInChI=1S/C17H30N4/c1-18-10-12-20(2)13-15-17(14-7-4-3-5-8-14)16-9-6-11-21(16)19-15/h14,18H,3-13H2,1-2H3
InChIKeyDICKVPVLKDVBPQ-UHFFFAOYSA-N
XLogP2.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 139456552) is N'-[(3-cyclohexyl-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-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1nn2c(c1C1CCCCC1)CCC2.
What is the InChIKey of N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is DICKVPVLKDVBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-18-10-12-20(2)13-15-17(14-7-4-3-5-8-14)16-9-6-11-21(16)19-15/h14,18H,3-13H2,1-2H3.
What are the key properties of N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclohexyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139456552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).