4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine

C20H15FN4O — CID 177374957

IUPAC4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine
SMILESFc1ccccc1COc1cccc(-c2[nH]ncc2-c2ccncn2)c1
InChIInChI=1S/C20H15FN4O/c21-18-7-2-1-4-15(18)12-26-16-6-3-5-14(10-16)20-17(11-24-25-20)19-8-9-22-13-23-19/h1-11,13H,12H2,(H,24,25)
InChIKeyAOISRSIVKJVXHU-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.25
Rot. Bonds5

About 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine

4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine (PubChem CID 177374957) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine
PubChem CID177374957
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine
SMILESFc1ccccc1COc1cccc(-c2[nH]ncc2-c2ccncn2)c1
InChIInChI=1S/C20H15FN4O/c21-18-7-2-1-4-15(18)12-26-16-6-3-5-14(10-16)20-17(11-24-25-20)19-8-9-22-13-23-19/h1-11,13H,12H2,(H,24,25)
InChIKeyAOISRSIVKJVXHU-UHFFFAOYSA-N
XLogP4.25
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine?
The IUPAC name of 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine (CID 177374957) is 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine?
The canonical SMILES for 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine is Fc1ccccc1COc1cccc(-c2[nH]ncc2-c2ccncn2)c1.
What is the InChIKey of 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine?
The InChIKey is AOISRSIVKJVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-18-7-2-1-4-15(18)12-26-16-6-3-5-14(10-16)20-17(11-24-25-20)19-8-9-22-13-23-19/h1-11,13H,12H2,(H,24,25).
What are the key properties of 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine?
4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine has a molecular weight of 346.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 177374957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).