8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C23H24FN7 — CID 118169361

IUPAC8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1ccccc1F
InChIInChI=1S/C23H24FN7/c1-16(2)21-17(15-31(26-21)18-8-4-3-5-9-18)14-29-12-13-30-23(25-27-28-30)22(29)19-10-6-7-11-20(19)24/h3-11,15-16,22H,12-14H2,1-2H3
InChIKeyOQUIDOIWYGAUIY-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.73
Rot. Bonds5

About 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169361) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169361
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC Name8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1ccccc1F
InChIInChI=1S/C23H24FN7/c1-16(2)21-17(15-31(26-21)18-8-4-3-5-9-18)14-29-12-13-30-23(25-27-28-30)22(29)19-10-6-7-11-20(19)24/h3-11,15-16,22H,12-14H2,1-2H3
InChIKeyOQUIDOIWYGAUIY-UHFFFAOYSA-N
XLogP3.73
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169361) is 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)c1nn(-c2ccccc2)cc1CN1CCn2nnnc2C1c1ccccc1F.
What is the InChIKey of 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is OQUIDOIWYGAUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-16(2)21-17(15-31(26-21)18-8-4-3-5-9-18)14-29-12-13-30-23(25-27-28-30)22(29)19-10-6-7-11-20(19)24/h3-11,15-16,22H,12-14H2,1-2H3.
What are the key properties of 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 417.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).