4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine

C19H18FN3S — CID 166813599

IUPAC4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine
SMILESFc1cccc(-n2cc(-c3ccc(N4CCSCC4)cc3)cn2)c1
InChIInChI=1S/C19H18FN3S/c20-17-2-1-3-19(12-17)23-14-16(13-21-23)15-4-6-18(7-5-15)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2
InChIKeyALZGTNPAYMAXNC-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.23
Rot. Bonds3

About 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine

4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine (PubChem CID 166813599) has the molecular formula C19H18FN3S and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine.

Molecular Properties

Compound Name4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine
PubChem CID166813599
Molecular FormulaC19H18FN3S
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC Name4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine
SMILESFc1cccc(-n2cc(-c3ccc(N4CCSCC4)cc3)cn2)c1
InChIInChI=1S/C19H18FN3S/c20-17-2-1-3-19(12-17)23-14-16(13-21-23)15-4-6-18(7-5-15)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2
InChIKeyALZGTNPAYMAXNC-UHFFFAOYSA-N
XLogP4.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine?
The IUPAC name of 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine (CID 166813599) is 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine.
What is the SMILES notation for 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine?
The canonical SMILES for 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine is Fc1cccc(-n2cc(-c3ccc(N4CCSCC4)cc3)cn2)c1.
What is the InChIKey of 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine?
The InChIKey is ALZGTNPAYMAXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3S/c20-17-2-1-3-19(12-17)23-14-16(13-21-23)15-4-6-18(7-5-15)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2.
What are the key properties of 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine?
4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine has a molecular weight of 339.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine is sourced from PubChem (CID 166813599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).