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

C6H12N4O — CID 70127840

IUPAC1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol
SMILESCC(O)c1nn(C)c(N)c1N
InChIInChI=1S/C6H12N4O/c1-3(11)5-4(7)6(8)10(2)9-5/h3,11H,7-8H2,1-2H3
InChIKeyKCNKXKLXXCOKBB-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.36
Rot. Bonds1

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

1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol (PubChem CID 70127840) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol
PubChem CID70127840
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol
SMILESCC(O)c1nn(C)c(N)c1N
InChIInChI=1S/C6H12N4O/c1-3(11)5-4(7)6(8)10(2)9-5/h3,11H,7-8H2,1-2H3
InChIKeyKCNKXKLXXCOKBB-UHFFFAOYSA-N
XLogP-0.36
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 ≤ 5-0.36
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-1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol (CID 70127840) is 1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol is CC(O)c1nn(C)c(N)c1N.
What is the InChIKey of 1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol?
The InChIKey is KCNKXKLXXCOKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3(11)5-4(7)6(8)10(2)9-5/h3,11H,7-8H2,1-2H3.
What are the key properties of 1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol?
1-(4,5-diamino-1-methylpyrazol-3-yl)ethanol has a molecular weight of 156.19 g/mol, XLogP of -0.36, 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-1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 70127840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).