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

C11H21N9 — CID 12066367

IUPAC1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine
SMILESCN(CCn1ncc(N)c1N)CCn1ncc(N)c1N
InChIInChI=1S/C11H21N9/c1-18(2-4-19-10(14)8(12)6-16-19)3-5-20-11(15)9(13)7-17-20/h6-7H,2-5,12-15H2,1H3
InChIKeyPOZGWHISJUCXEK-UHFFFAOYSA-N
MW279.35 g/mol
LogP-0.96
Rot. Bonds6

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

1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine (PubChem CID 12066367) has the molecular formula C11H21N9 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine
PubChem CID12066367
Molecular FormulaC11H21N9
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine
SMILESCN(CCn1ncc(N)c1N)CCn1ncc(N)c1N
InChIInChI=1S/C11H21N9/c1-18(2-4-19-10(14)8(12)6-16-19)3-5-20-11(15)9(13)7-17-20/h6-7H,2-5,12-15H2,1H3
InChIKeyPOZGWHISJUCXEK-UHFFFAOYSA-N
XLogP-0.96
TPSA142.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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-4,5-diamine
CID 10290764
1-Ethyl-1H-pyrazole-3,4-diamine
CID 66509601
N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine
CID 125422138
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
1-Hexylpyrazole-4,5-diamine
CID 69718352
3-N-ethyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103078299
1-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103078303
3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine
CID 103078635

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine (CID 12066367) is 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine is CN(CCn1ncc(N)c1N)CCn1ncc(N)c1N.
What is the InChIKey of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine?
The InChIKey is POZGWHISJUCXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N9/c1-18(2-4-19-10(14)8(12)6-16-19)3-5-20-11(15)9(13)7-17-20/h6-7H,2-5,12-15H2,1H3.
What are the key properties of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine?
1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine has a molecular weight of 279.35 g/mol, XLogP of -0.96, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 12066367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).