2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

C8H15N3O — CID 16767727

IUPAC2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)CN
InChIInChI=1S/C8H15N3O/c1-5-8(7(12)4-9)6(2)11(3)10-5/h7,12H,4,9H2,1-3H3
InChIKeySTPGKUVSQGDNCN-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.03
Rot. Bonds2

About 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 16767727) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID16767727
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)CN
InChIInChI=1S/C8H15N3O/c1-5-8(7(12)4-9)6(2)11(3)10-5/h7,12H,4,9H2,1-3H3
InChIKeySTPGKUVSQGDNCN-UHFFFAOYSA-N
XLogP0.03
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 16767727) is 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1C(O)CN.
What is the InChIKey of 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is STPGKUVSQGDNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5-8(7(12)4-9)6(2)11(3)10-5/h7,12H,4,9H2,1-3H3.
What are the key properties of 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 169.23 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 16767727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).