1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one

C18H15FN6O2 — CID 21027868

IUPAC1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one
SMILESCn1nnn(-c2ccccc2COc2ccn(-c3ccc(F)cc3)n2)c1=O
InChIInChI=1S/C18H15FN6O2/c1-23-18(26)25(22-21-23)16-5-3-2-4-13(16)12-27-17-10-11-24(20-17)15-8-6-14(19)7-9-15/h2-11H,12H2,1H3
InChIKeyPOUVCJKQLIZPSY-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one

1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one (PubChem CID 21027868) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one
PubChem CID21027868
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one
SMILESCn1nnn(-c2ccccc2COc2ccn(-c3ccc(F)cc3)n2)c1=O
InChIInChI=1S/C18H15FN6O2/c1-23-18(26)25(22-21-23)16-5-3-2-4-13(16)12-27-17-10-11-24(20-17)15-8-6-14(19)7-9-15/h2-11H,12H2,1H3
InChIKeyPOUVCJKQLIZPSY-UHFFFAOYSA-N
XLogP1.87
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one (CID 21027868) is 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one is Cn1nnn(-c2ccccc2COc2ccn(-c3ccc(F)cc3)n2)c1=O.
What is the InChIKey of 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one?
The InChIKey is POUVCJKQLIZPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-23-18(26)25(22-21-23)16-5-3-2-4-13(16)12-27-17-10-11-24(20-17)15-8-6-14(19)7-9-15/h2-11H,12H2,1H3.
What are the key properties of 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one?
1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one has a molecular weight of 366.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-fluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 21027868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).