1-amino-3-pyrazol-1-ylpropan-2-ol

C6H11N3O — CID 16782636

IUPAC1-amino-3-pyrazol-1-ylpropan-2-ol
SMILESNCC(O)Cn1cccn1
InChIInChI=1S/C6H11N3O/c7-4-6(10)5-9-3-1-2-8-9/h1-3,6,10H,4-5,7H2
InChIKeyGTEXXCCAHDQARI-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.80
Rot. Bonds3

About 1-amino-3-pyrazol-1-ylpropan-2-ol

1-amino-3-pyrazol-1-ylpropan-2-ol (PubChem CID 16782636) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-amino-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-pyrazol-1-ylpropan-2-ol
PubChem CID16782636
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-amino-3-pyrazol-1-ylpropan-2-ol
SMILESNCC(O)Cn1cccn1
InChIInChI=1S/C6H11N3O/c7-4-6(10)5-9-3-1-2-8-9/h1-3,6,10H,4-5,7H2
InChIKeyGTEXXCCAHDQARI-UHFFFAOYSA-N
XLogP-0.80
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-amino-3-pyrazol-1-ylpropan-2-ol (CID 16782636) is 1-amino-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-amino-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-amino-3-pyrazol-1-ylpropan-2-ol is NCC(O)Cn1cccn1.
What is the InChIKey of 1-amino-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is GTEXXCCAHDQARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-4-6(10)5-9-3-1-2-8-9/h1-3,6,10H,4-5,7H2.
What are the key properties of 1-amino-3-pyrazol-1-ylpropan-2-ol?
1-amino-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 141.17 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 16782636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).