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

C6H12N4O — CID 18769496

IUPAC1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
SMILESCc1nn(C(C)O)c(N)c1N
InChIInChI=1S/C6H12N4O/c1-3-5(7)6(8)10(9-3)4(2)11/h4,11H,7-8H2,1-2H3
InChIKeyVIYHFOAUCXWWBH-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.13
Rot. Bonds1

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

1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol (PubChem CID 18769496) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
PubChem CID18769496
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
SMILESCc1nn(C(C)O)c(N)c1N
InChIInChI=1S/C6H12N4O/c1-3-5(7)6(8)10(9-3)4(2)11/h4,11H,7-8H2,1-2H3
InChIKeyVIYHFOAUCXWWBH-UHFFFAOYSA-N
XLogP-0.13
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.13
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?
The IUPAC name of 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol (CID 18769496) is 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol?
The canonical SMILES for 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol is Cc1nn(C(C)O)c(N)c1N.
What is the InChIKey of 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol?
The InChIKey is VIYHFOAUCXWWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-5(7)6(8)10(9-3)4(2)11/h4,11H,7-8H2,1-2H3.
What are the key properties of 1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol?
1-(4,5-diamino-3-methylpyrazol-1-yl)ethanol has a molecular weight of 156.19 g/mol, XLogP of -0.13, 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 is sourced from PubChem (CID 18769496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).