3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol

C13H15N3O — CID 71041206

IUPAC3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol
SMILESNc1cc(C2CC(O)C2)nn1-c1ccccc1
InChIInChI=1S/C13H15N3O/c14-13-8-12(9-6-11(17)7-9)15-16(13)10-4-2-1-3-5-10/h1-5,8-9,11,17H,6-7,14H2
InChIKeyCNLOIWFHNHQAFQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.69
Rot. Bonds2

About 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol

3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol (PubChem CID 71041206) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol
PubChem CID71041206
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol
SMILESNc1cc(C2CC(O)C2)nn1-c1ccccc1
InChIInChI=1S/C13H15N3O/c14-13-8-12(9-6-11(17)7-9)15-16(13)10-4-2-1-3-5-10/h1-5,8-9,11,17H,6-7,14H2
InChIKeyCNLOIWFHNHQAFQ-UHFFFAOYSA-N
XLogP1.69
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol (CID 71041206) is 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol is Nc1cc(C2CC(O)C2)nn1-c1ccccc1.
What is the InChIKey of 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol?
The InChIKey is CNLOIWFHNHQAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-13-8-12(9-6-11(17)7-9)15-16(13)10-4-2-1-3-5-10/h1-5,8-9,11,17H,6-7,14H2.
What are the key properties of 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol?
3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 71041206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).