4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol

C13H15N3O2 — CID 117125131

IUPAC4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol
SMILESOc1ccc(Oc2cnn(C3CCCN3)c2)cc1
InChIInChI=1S/C13H15N3O2/c17-10-3-5-11(6-4-10)18-12-8-15-16(9-12)13-2-1-7-14-13/h3-6,8-9,13-14,17H,1-2,7H2
InChIKeyDKTKDYXQFWHINK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.26
Rot. Bonds3

About 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol

4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol (PubChem CID 117125131) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol.

Molecular Properties

Compound Name4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol
PubChem CID117125131
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol
SMILESOc1ccc(Oc2cnn(C3CCCN3)c2)cc1
InChIInChI=1S/C13H15N3O2/c17-10-3-5-11(6-4-10)18-12-8-15-16(9-12)13-2-1-7-14-13/h3-6,8-9,13-14,17H,1-2,7H2
InChIKeyDKTKDYXQFWHINK-UHFFFAOYSA-N
XLogP2.26
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol?
The IUPAC name of 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol (CID 117125131) is 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol.
What is the SMILES notation for 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol?
The canonical SMILES for 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol is Oc1ccc(Oc2cnn(C3CCCN3)c2)cc1.
What is the InChIKey of 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol?
The InChIKey is DKTKDYXQFWHINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-10-3-5-11(6-4-10)18-12-8-15-16(9-12)13-2-1-7-14-13/h3-6,8-9,13-14,17H,1-2,7H2.
What are the key properties of 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol?
4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol has a molecular weight of 245.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol is sourced from PubChem (CID 117125131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).