3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol

C8H15N3O — CID 82598009

IUPAC3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
SMILESCc1cc(C(O)CCN)n(C)n1
InChIInChI=1S/C8H15N3O/c1-6-5-7(11(2)10-6)8(12)3-4-9/h5,8,12H,3-4,9H2,1-2H3
InChIKeyYZKPBPHPRGXYRZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.11
Rot. Bonds3

About 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol

3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol (PubChem CID 82598009) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
PubChem CID82598009
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
SMILESCc1cc(C(O)CCN)n(C)n1
InChIInChI=1S/C8H15N3O/c1-6-5-7(11(2)10-6)8(12)3-4-9/h5,8,12H,3-4,9H2,1-2H3
InChIKeyYZKPBPHPRGXYRZ-UHFFFAOYSA-N
XLogP0.11
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol (CID 82598009) is 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol is Cc1cc(C(O)CCN)n(C)n1.
What is the InChIKey of 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The InChIKey is YZKPBPHPRGXYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-5-7(11(2)10-6)8(12)3-4-9/h5,8,12H,3-4,9H2,1-2H3.
What are the key properties of 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 82598009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).