5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol

C18H15FN4O — CID 163233829

IUPAC5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol
SMILESCc1n[nH]c(C)c1-c1ccc2c(cnn2-c2ccc(F)c(O)c2)c1
InChIInChI=1S/C18H15FN4O/c1-10-18(11(2)22-21-10)12-3-6-16-13(7-12)9-20-23(16)14-4-5-15(19)17(24)8-14/h3-9,24H,1-2H3,(H,21,22)
InChIKeyALXRWOVACZOHDM-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.88
Rot. Bonds2

About 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol

5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol (PubChem CID 163233829) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol
PubChem CID163233829
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol
SMILESCc1n[nH]c(C)c1-c1ccc2c(cnn2-c2ccc(F)c(O)c2)c1
InChIInChI=1S/C18H15FN4O/c1-10-18(11(2)22-21-10)12-3-6-16-13(7-12)9-20-23(16)14-4-5-15(19)17(24)8-14/h3-9,24H,1-2H3,(H,21,22)
InChIKeyALXRWOVACZOHDM-UHFFFAOYSA-N
XLogP3.88
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol?
The IUPAC name of 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol (CID 163233829) is 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol is Cc1n[nH]c(C)c1-c1ccc2c(cnn2-c2ccc(F)c(O)c2)c1.
What is the InChIKey of 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol?
The InChIKey is ALXRWOVACZOHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-10-18(11(2)22-21-10)12-3-6-16-13(7-12)9-20-23(16)14-4-5-15(19)17(24)8-14/h3-9,24H,1-2H3,(H,21,22).
What are the key properties of 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol?
5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol has a molecular weight of 322.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)indazol-1-yl]-2-fluorophenol is sourced from PubChem (CID 163233829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).