4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol

C15H13N3O — CID 135470346

IUPAC4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(O)cc2)n1
InChIInChI=1S/C15H13N3O/c1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11/h2-9,19H,1H3,(H,16,18)
InChIKeyYOLJORSLLBNCFO-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.15
Rot. Bonds2

About 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol

4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol (PubChem CID 135470346) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol
PubChem CID135470346
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(O)cc2)n1
InChIInChI=1S/C15H13N3O/c1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11/h2-9,19H,1H3,(H,16,18)
InChIKeyYOLJORSLLBNCFO-UHFFFAOYSA-N
XLogP3.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol?
The IUPAC name of 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol (CID 135470346) is 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol?
The canonical SMILES for 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol is Cc1cccc(-c2[nH]ncc2-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol?
The InChIKey is YOLJORSLLBNCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11/h2-9,19H,1H3,(H,16,18).
What are the key properties of 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol?
4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol has a molecular weight of 251.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol is sourced from PubChem (CID 135470346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).