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

C9H16N8 — CID 13008381

IUPAC1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
SMILESNc1cnn(CCCn2ncc(N)c2N)c1N
InChIInChI=1S/C9H16N8/c10-6-4-14-16(8(6)12)2-1-3-17-9(13)7(11)5-15-17/h4-5H,1-3,10-13H2
InChIKeyYKIXUOZKCLTUOE-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.50
Rot. Bonds4

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

1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine (PubChem CID 13008381) has the molecular formula C9H16N8 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
PubChem CID13008381
Molecular FormulaC9H16N8
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
SMILESNc1cnn(CCCn2ncc(N)c2N)c1N
InChIInChI=1S/C9H16N8/c10-6-4-14-16(8(6)12)2-1-3-17-9(13)7(11)5-15-17/h4-5H,1-3,10-13H2
InChIKeyYKIXUOZKCLTUOE-UHFFFAOYSA-N
XLogP-0.50
TPSA139.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine (CID 13008381) is 1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine is Nc1cnn(CCCn2ncc(N)c2N)c1N.
What is the InChIKey of 1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine?
The InChIKey is YKIXUOZKCLTUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N8/c10-6-4-14-16(8(6)12)2-1-3-17-9(13)7(11)5-15-17/h4-5H,1-3,10-13H2.
What are the key properties of 1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine?
1-[3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine has a molecular weight of 236.28 g/mol, XLogP of -0.50, 4 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)propyl]pyrazole-4,5-diamine is sourced from PubChem (CID 13008381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).