1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one

C18H15FN6O2 — CID 118033726

IUPAC1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cccc(F)c2COc2cnn(-c3ccccc3)c2)c1=O
InChIInChI=1S/C18H15FN6O2/c1-23-18(26)25(22-21-23)17-9-5-8-16(19)15(17)12-27-14-10-20-24(11-14)13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyLTOWUDPRKOVXBX-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.87
Rot. Bonds5

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

1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one (PubChem CID 118033726) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one
PubChem CID118033726
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cccc(F)c2COc2cnn(-c3ccccc3)c2)c1=O
InChIInChI=1S/C18H15FN6O2/c1-23-18(26)25(22-21-23)17-9-5-8-16(19)15(17)12-27-14-10-20-24(11-14)13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyLTOWUDPRKOVXBX-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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Related Compounds

1-[2-[(2,5-dimethylphenoxy)methyl]-3-fluorophenyl]-4-methyltetrazol-5-one
CID 140721163
1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one
CID 134251488
1-[3-ethyl-2-(pyridin-3-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707252
1-methyl-4-[3-methyl-2-[[3-(3,4,5-trifluorophenyl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 118907869
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
CID 117234072
1-methyl-4-[3-methyl-2-[(2,3,5,6-tetrafluoro-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121381109
1-[3-ethoxy-2-(pyridin-4-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707195
1-[2-[(3-benzoylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118049184
1-[3-cyclopropyl-2-[(2-fluoro-6-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140719209
1-methyl-4-[2-[(3-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl]tetrazol-5-one
CID 118965581
1-methyl-4-[2-[(4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121331474
1-[3-ethoxy-2-[(2-ethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140804085

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one (CID 118033726) is 1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one is Cn1nnn(-c2cccc(F)c2COc2cnn(-c3ccccc3)c2)c1=O.
What is the InChIKey of 1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one?
The InChIKey is LTOWUDPRKOVXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-23-18(26)25(22-21-23)17-9-5-8-16(19)15(17)12-27-14-10-20-24(11-14)13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of 1-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one?
1-[3-fluoro-2-[(1-phenylpyrazol-4-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-[3-fluoro-2-[(1-phenylpyrazol-4-yl)oxymethyl]phenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 118033726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).