4-(3-anilinopyrazol-1-yl)phenol

C15H13N3O — CID 21272353

IUPAC4-(3-anilinopyrazol-1-yl)phenol
SMILESOc1ccc(-n2ccc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H13N3O/c19-14-8-6-13(7-9-14)18-11-10-15(17-18)16-12-4-2-1-3-5-12/h1-11,19H,(H,16,17)
InChIKeyMWLHTHVVTXMSEL-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.32
Rot. Bonds3

About 4-(3-anilinopyrazol-1-yl)phenol

4-(3-anilinopyrazol-1-yl)phenol (PubChem CID 21272353) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(3-anilinopyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(3-anilinopyrazol-1-yl)phenol
PubChem CID21272353
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(3-anilinopyrazol-1-yl)phenol
SMILESOc1ccc(-n2ccc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H13N3O/c19-14-8-6-13(7-9-14)18-11-10-15(17-18)16-12-4-2-1-3-5-12/h1-11,19H,(H,16,17)
InChIKeyMWLHTHVVTXMSEL-UHFFFAOYSA-N
XLogP3.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-anilinopyrazol-1-yl)phenol?
The IUPAC name of 4-(3-anilinopyrazol-1-yl)phenol (CID 21272353) is 4-(3-anilinopyrazol-1-yl)phenol.
What is the SMILES notation for 4-(3-anilinopyrazol-1-yl)phenol?
The canonical SMILES for 4-(3-anilinopyrazol-1-yl)phenol is Oc1ccc(-n2ccc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-(3-anilinopyrazol-1-yl)phenol?
The InChIKey is MWLHTHVVTXMSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-14-8-6-13(7-9-14)18-11-10-15(17-18)16-12-4-2-1-3-5-12/h1-11,19H,(H,16,17).
What are the key properties of 4-(3-anilinopyrazol-1-yl)phenol?
4-(3-anilinopyrazol-1-yl)phenol has a molecular weight of 251.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilinopyrazol-1-yl)phenol is sourced from PubChem (CID 21272353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).