4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine

C16H25N5 — CID 104729261

IUPAC4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine
SMILESCC(C)c1cc2c(N(C)C3CCC(N)CC3)nccn2n1
InChIInChI=1S/C16H25N5/c1-11(2)14-10-15-16(18-8-9-21(15)19-14)20(3)13-6-4-12(17)5-7-13/h8-13H,4-7,17H2,1-3H3
InChIKeyBBTKTZNYTZNRRB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.56
Rot. Bonds3

About 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine (PubChem CID 104729261) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine
PubChem CID104729261
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine
SMILESCC(C)c1cc2c(N(C)C3CCC(N)CC3)nccn2n1
InChIInChI=1S/C16H25N5/c1-11(2)14-10-15-16(18-8-9-21(15)19-14)20(3)13-6-4-12(17)5-7-13/h8-13H,4-7,17H2,1-3H3
InChIKeyBBTKTZNYTZNRRB-UHFFFAOYSA-N
XLogP2.56
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 102869205
1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
CID 104733077
N',2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729893
N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734078
N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113499999
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]methanamine
CID 104734304
2-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)oxycyclopentan-1-amine
CID 104733586
N-(azetidin-3-yl)-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732673
N'-butyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 104733660
N'-(2-methylpropyl)-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729896
3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide
CID 104730009
1-[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanol
CID 106837325

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine (CID 104729261) is 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine is CC(C)c1cc2c(N(C)C3CCC(N)CC3)nccn2n1.
What is the InChIKey of 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is BBTKTZNYTZNRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11(2)14-10-15-16(18-8-9-21(15)19-14)20(3)13-6-4-12(17)5-7-13/h8-13H,4-7,17H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 104729261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).