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

C23H23F2N7 — CID 118169438

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cc(F)ccc1F
InChIInChI=1S/C23H23F2N7/c1-15(2)21-19(14-32(27-21)18-6-4-3-5-7-18)22-23-26-28-29-31(23)11-10-30(22)13-16-12-17(24)8-9-20(16)25/h3-9,12,14-15,22H,10-11,13H2,1-2H3
InChIKeyUDHUGXAVFSIAHH-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.87
Rot. Bonds5

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

7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169438) has the molecular formula C23H23F2N7 and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169438
Molecular FormulaC23H23F2N7
Molecular Weight435.48 g/mol
Exact Mass435.20
IUPAC Name7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cc(F)ccc1F
InChIInChI=1S/C23H23F2N7/c1-15(2)21-19(14-32(27-21)18-6-4-3-5-7-18)22-23-26-28-29-31(23)11-10-30(22)13-16-12-17(24)8-9-20(16)25/h3-9,12,14-15,22H,10-11,13H2,1-2H3
InChIKeyUDHUGXAVFSIAHH-UHFFFAOYSA-N
XLogP3.87
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169438) is 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cc(F)ccc1F.
What is the InChIKey of 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is UDHUGXAVFSIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7/c1-15(2)21-19(14-32(27-21)18-6-4-3-5-7-18)22-23-26-28-29-31(23)11-10-30(22)13-16-12-17(24)8-9-20(16)25/h3-9,12,14-15,22H,10-11,13H2,1-2H3.
What are the key properties of 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 435.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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