2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol

C8H16N4O — CID 117123289

IUPAC2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol
SMILESCC(C)n1nc(N)c(CCO)c1N
InChIInChI=1S/C8H16N4O/c1-5(2)12-8(10)6(3-4-13)7(9)11-12/h5,13H,3-4,10H2,1-2H3,(H2,9,11)
InChIKeyVXVLYZYAGSGMLA-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds3

About 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol

2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol (PubChem CID 117123289) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol
PubChem CID117123289
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol
SMILESCC(C)n1nc(N)c(CCO)c1N
InChIInChI=1S/C8H16N4O/c1-5(2)12-8(10)6(3-4-13)7(9)11-12/h5,13H,3-4,10H2,1-2H3,(H2,9,11)
InChIKeyVXVLYZYAGSGMLA-UHFFFAOYSA-N
XLogP0.16
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol (CID 117123289) is 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol is CC(C)n1nc(N)c(CCO)c1N.
What is the InChIKey of 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol?
The InChIKey is VXVLYZYAGSGMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-5(2)12-8(10)6(3-4-13)7(9)11-12/h5,13H,3-4,10H2,1-2H3,(H2,9,11).
What are the key properties of 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol?
2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol has a molecular weight of 184.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol is sourced from PubChem (CID 117123289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).