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

C23H24BrN7 — CID 118169359

IUPAC7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccc(Br)cc1
InChIInChI=1S/C23H24BrN7/c1-16(2)21-20(15-31(26-21)19-6-4-3-5-7-19)22-23-25-27-28-30(23)13-12-29(22)14-17-8-10-18(24)11-9-17/h3-11,15-16,22H,12-14H2,1-2H3
InChIKeyKGWGSXKLKUPZEM-UHFFFAOYSA-N
MW478.40 g/mol
LogP4.35
Rot. Bonds5

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

7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169359) has the molecular formula C23H24BrN7 and a molecular weight of 478.40 g/mol. Its IUPAC name is 7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169359
Molecular FormulaC23H24BrN7
Molecular Weight478.40 g/mol
Exact Mass477.13
IUPAC Name7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccc(Br)cc1
InChIInChI=1S/C23H24BrN7/c1-16(2)21-20(15-31(26-21)19-6-4-3-5-7-19)22-23-25-27-28-30(23)13-12-29(22)14-17-8-10-18(24)11-9-17/h3-11,15-16,22H,12-14H2,1-2H3
InChIKeyKGWGSXKLKUPZEM-UHFFFAOYSA-N
XLogP4.35
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169359) is 7-[(4-bromophenyl)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-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccc(Br)cc1.
What is the InChIKey of 7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is KGWGSXKLKUPZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN7/c1-16(2)21-20(15-31(26-21)19-6-4-3-5-7-19)22-23-25-27-28-30(23)13-12-29(22)14-17-8-10-18(24)11-9-17/h3-11,15-16,22H,12-14H2,1-2H3.
What are the key properties of 7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 478.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).