1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine

C8H14N8 — CID 13008372

IUPAC1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine
SMILESNc1cnn(CCn2ncc(N)c2N)c1N
InChIInChI=1S/C8H14N8/c9-5-3-13-15(7(5)11)1-2-16-8(12)6(10)4-14-16/h3-4H,1-2,9-12H2
InChIKeyFKHBXRZOCHQFRA-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.89
Rot. Bonds3

About 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine

1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine (PubChem CID 13008372) has the molecular formula C8H14N8 and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine
PubChem CID13008372
Molecular FormulaC8H14N8
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC Name1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine
SMILESNc1cnn(CCn2ncc(N)c2N)c1N
InChIInChI=1S/C8H14N8/c9-5-3-13-15(7(5)11)1-2-16-8(12)6(10)4-14-16/h3-4H,1-2,9-12H2
InChIKeyFKHBXRZOCHQFRA-UHFFFAOYSA-N
XLogP-0.89
TPSA139.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-Hexyl 4,5-diamino pyrazole sulfate
CID 91936919
1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034
1-Methyl-1H-pyrazole-3,4-diamine dihydrochloride
CID 75531037
1-Methyl-1H-pyrazole-4,5-diamine
CID 10290764
1-Ethyl-1H-pyrazole-3,4-diamine
CID 66509601
1-Methyl-1H-pyrazole-4,5-diamine dihydrochloride
CID 13525020
1-methyl-1H-pyrazole-3,4-diamine
CID 15166013
1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
4-Isocyano-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 57556360
1-Hexylpyrazole-4,5-diamine
CID 69718352
N-[1-(2-fluoroethyl)-5-(methylideneamino)pyrazol-4-yl]methanimine
CID 169694737
1-(2,2-difluoroethyl)-1H-pyrazole-3,4-diamine
CID 66509523

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine (CID 13008372) is 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine is Nc1cnn(CCn2ncc(N)c2N)c1N.
What is the InChIKey of 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine?
The InChIKey is FKHBXRZOCHQFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N8/c9-5-3-13-15(7(5)11)1-2-16-8(12)6(10)4-14-16/h3-4H,1-2,9-12H2.
What are the key properties of 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine?
1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine has a molecular weight of 222.26 g/mol, XLogP of -0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 13008372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).