4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol

C13H15N3O2 — CID 115055541

IUPAC4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol
SMILESOc1ccc(Oc2cnn(C3CCNC3)c2)cc1
InChIInChI=1S/C13H15N3O2/c17-11-1-3-12(4-2-11)18-13-8-15-16(9-13)10-5-6-14-7-10/h1-4,8-10,14,17H,5-7H2
InChIKeyWYUNMMPJCGSFJV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.92
Rot. Bonds3

About 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol

4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol (PubChem CID 115055541) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol.

Molecular Properties

Compound Name4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol
PubChem CID115055541
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol
SMILESOc1ccc(Oc2cnn(C3CCNC3)c2)cc1
InChIInChI=1S/C13H15N3O2/c17-11-1-3-12(4-2-11)18-13-8-15-16(9-13)10-5-6-14-7-10/h1-4,8-10,14,17H,5-7H2
InChIKeyWYUNMMPJCGSFJV-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol?
The IUPAC name of 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol (CID 115055541) is 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol.
What is the SMILES notation for 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol?
The canonical SMILES for 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol is Oc1ccc(Oc2cnn(C3CCNC3)c2)cc1.
What is the InChIKey of 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol?
The InChIKey is WYUNMMPJCGSFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-1-3-12(4-2-11)18-13-8-15-16(9-13)10-5-6-14-7-10/h1-4,8-10,14,17H,5-7H2.
What are the key properties of 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol?
4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol has a molecular weight of 245.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrrolidin-3-ylpyrazol-4-yl)oxyphenol is sourced from PubChem (CID 115055541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).