1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine

C12H20N8 — CID 12011888

IUPAC1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine
SMILESNc1cnn(C2CCCC(n3ncc(N)c3N)C2)c1N
InChIInChI=1S/C12H20N8/c13-9-5-17-19(11(9)15)7-2-1-3-8(4-7)20-12(16)10(14)6-18-20/h5-8H,1-4,13-16H2
InChIKeyGVBZLCSVTJCVJI-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.76
Rot. Bonds2

About 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine

1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine (PubChem CID 12011888) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine
PubChem CID12011888
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine
SMILESNc1cnn(C2CCCC(n3ncc(N)c3N)C2)c1N
InChIInChI=1S/C12H20N8/c13-9-5-17-19(11(9)15)7-2-1-3-8(4-7)20-12(16)10(14)6-18-20/h5-8H,1-4,13-16H2
InChIKeyGVBZLCSVTJCVJI-UHFFFAOYSA-N
XLogP0.76
TPSA139.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-Hexyl 4,5-diamino pyrazole sulfate
CID 91936919
1-(4,4-Difluorocyclohexyl)-4-isocyanopyrazol-5-amine
CID 57556350
1-Hexylpyrazole-4,5-diamine
CID 69718352
1-[(4,5-Diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine
CID 12011885
1-[2-Amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
CID 12066362
1-[2-[2-(4,5-Diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine
CID 12066363
1-[2-[2-(4,5-Diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine
CID 12066366
1-[2-[2-(4,5-Diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine
CID 12066367
Bis[2-(4,5-diaminopyrazol-1-yl)ethyl]-dimethylazanium
CID 12066368
1,2-Bis-(4,5-diaminopyrazol-1-yl)ethane
CID 13008372
1-[3-(4,5-Diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
CID 13008381
1-Isopropyl-1h-pyrazole-4,5-diamine
CID 15825513

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine (CID 12011888) is 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine is Nc1cnn(C2CCCC(n3ncc(N)c3N)C2)c1N.
What is the InChIKey of 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine?
The InChIKey is GVBZLCSVTJCVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c13-9-5-17-19(11(9)15)7-2-1-3-8(4-7)20-12(16)10(14)6-18-20/h5-8H,1-4,13-16H2.
What are the key properties of 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine?
1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine has a molecular weight of 276.35 g/mol, XLogP of 0.76, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine is sourced from PubChem (CID 12011888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).