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

C12H22N8 — CID 20826260

IUPAC1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine
SMILESCC(CCn1cc(N)c(N)n1)CCn1ncc(N)c1N
InChIInChI=1S/C12H22N8/c1-8(2-4-19-7-10(14)11(15)18-19)3-5-20-12(16)9(13)6-17-20/h6-8H,2-5,13-14,16H2,1H3,(H2,15,18)
InChIKeyJIFXBNGFUCMHCA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.52
Rot. Bonds6

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

1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine (PubChem CID 20826260) has the molecular formula C12H22N8 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine
PubChem CID20826260
Molecular FormulaC12H22N8
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine
SMILESCC(CCn1cc(N)c(N)n1)CCn1ncc(N)c1N
InChIInChI=1S/C12H22N8/c1-8(2-4-19-7-10(14)11(15)18-19)3-5-20-12(16)9(13)6-17-20/h6-8H,2-5,13-14,16H2,1H3,(H2,15,18)
InChIKeyJIFXBNGFUCMHCA-UHFFFAOYSA-N
XLogP0.52
TPSA139.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Hexyl 4,5-diamino pyrazole sulfate
CID 91936919
1-Hexylpyrazole-4,5-diamine
CID 69718352
3-[2,2-Dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-1-methylpyrazol-4-amine
CID 114271750
2-Ethylpyrazole-3,4-diamine
CID 12011876
1-[(4,5-Diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine
CID 12011885
1-[3-(4,5-Diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine
CID 12011888
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-Propyl-1H-pyrazole-4,5-diamine
CID 13007233

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine?
The IUPAC name of 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine (CID 20826260) is 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine.
What is the SMILES notation for 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine?
The canonical SMILES for 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine is CC(CCn1cc(N)c(N)n1)CCn1ncc(N)c1N.
What is the InChIKey of 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine?
The InChIKey is JIFXBNGFUCMHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N8/c1-8(2-4-19-7-10(14)11(15)18-19)3-5-20-12(16)9(13)6-17-20/h6-8H,2-5,13-14,16H2,1H3,(H2,15,18).
What are the key properties of 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine?
1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine is sourced from PubChem (CID 20826260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).