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

C23H25N7 — CID 118169512

IUPAC7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccccc1
InChIInChI=1S/C23H25N7/c1-17(2)21-20(16-30(25-21)19-11-7-4-8-12-19)22-23-24-26-27-29(23)14-13-28(22)15-18-9-5-3-6-10-18/h3-12,16-17,22H,13-15H2,1-2H3
InChIKeyGRJFBGCDAFRCGJ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.59
Rot. Bonds5

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

7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169512) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169512
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccccc1
InChIInChI=1S/C23H25N7/c1-17(2)21-20(16-30(25-21)19-11-7-4-8-12-19)22-23-24-26-27-29(23)14-13-28(22)15-18-9-5-3-6-10-18/h3-12,16-17,22H,13-15H2,1-2H3
InChIKeyGRJFBGCDAFRCGJ-UHFFFAOYSA-N
XLogP3.59
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169512) is 7-benzyl-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-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1ccccc1.
What is the InChIKey of 7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is GRJFBGCDAFRCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-17(2)21-20(16-30(25-21)19-11-7-4-8-12-19)22-23-24-26-27-29(23)14-13-28(22)15-18-9-5-3-6-10-18/h3-12,16-17,22H,13-15H2,1-2H3.
What are the key properties of 7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 399.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).