3-(5-aminopyrazol-1-yl)propane-1,2-diol

C6H11N3O2 — CID 54224935

IUPAC3-(5-aminopyrazol-1-yl)propane-1,2-diol
SMILESNc1ccnn1CC(O)CO
InChIInChI=1S/C6H11N3O2/c7-6-1-2-8-9(6)3-5(11)4-10/h1-2,5,10-11H,3-4,7H2
InChIKeyQFERTCGCKSDXHW-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.18
Rot. Bonds3

About 3-(5-aminopyrazol-1-yl)propane-1,2-diol

3-(5-aminopyrazol-1-yl)propane-1,2-diol (PubChem CID 54224935) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(5-aminopyrazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-aminopyrazol-1-yl)propane-1,2-diol
PubChem CID54224935
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-(5-aminopyrazol-1-yl)propane-1,2-diol
SMILESNc1ccnn1CC(O)CO
InChIInChI=1S/C6H11N3O2/c7-6-1-2-8-9(6)3-5(11)4-10/h1-2,5,10-11H,3-4,7H2
InChIKeyQFERTCGCKSDXHW-UHFFFAOYSA-N
XLogP-1.18
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopyrazol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(5-aminopyrazol-1-yl)propane-1,2-diol (CID 54224935) is 3-(5-aminopyrazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(5-aminopyrazol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(5-aminopyrazol-1-yl)propane-1,2-diol is Nc1ccnn1CC(O)CO.
What is the InChIKey of 3-(5-aminopyrazol-1-yl)propane-1,2-diol?
The InChIKey is QFERTCGCKSDXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-6-1-2-8-9(6)3-5(11)4-10/h1-2,5,10-11H,3-4,7H2.
What are the key properties of 3-(5-aminopyrazol-1-yl)propane-1,2-diol?
3-(5-aminopyrazol-1-yl)propane-1,2-diol has a molecular weight of 157.17 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopyrazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 54224935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).