1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride

C6H14Cl2N4O — CID 18769495

IUPAC1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride
SMILESCc1nn(C(C)O)c(N)c1N.Cl.Cl
InChIInChI=1S/C6H12N4O.2ClH/c1-3-5(7)6(8)10(9-3)4(2)11;;/h4,11H,7-8H2,1-2H3;2*1H
InChIKeyOFBPBNTZTFEIRR-UHFFFAOYSA-N
MW229.11 g/mol
LogP0.71
Rot. Bonds1

About 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride

1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride (PubChem CID 18769495) has the molecular formula C6H14Cl2N4O and a molecular weight of 229.11 g/mol. Its IUPAC name is 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Name1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride
PubChem CID18769495
Molecular FormulaC6H14Cl2N4O
Molecular Weight229.11 g/mol
Exact Mass228.05
IUPAC Name1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride
SMILESCc1nn(C(C)O)c(N)c1N.Cl.Cl
InChIInChI=1S/C6H12N4O.2ClH/c1-3-5(7)6(8)10(9-3)4(2)11;;/h4,11H,7-8H2,1-2H3;2*1H
InChIKeyOFBPBNTZTFEIRR-UHFFFAOYSA-N
XLogP0.71
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride?
The IUPAC name of 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride (CID 18769495) is 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride.
What is the SMILES notation for 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride?
The canonical SMILES for 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride is Cc1nn(C(C)O)c(N)c1N.Cl.Cl.
What is the InChIKey of 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride?
The InChIKey is OFBPBNTZTFEIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O.2ClH/c1-3-5(7)6(8)10(9-3)4(2)11;;/h4,11H,7-8H2,1-2H3;2*1H.
What are the key properties of 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride?
1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride has a molecular weight of 229.11 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol;dihydrochloride is sourced from PubChem (CID 18769495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).