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

C23H24ClN7 — CID 118169365

IUPAC7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cccc(Cl)c1
InChIInChI=1S/C23H24ClN7/c1-16(2)21-20(15-31(26-21)19-9-4-3-5-10-19)22-23-25-27-28-30(23)12-11-29(22)14-17-7-6-8-18(24)13-17/h3-10,13,15-16,22H,11-12,14H2,1-2H3
InChIKeyWUUHCECRQWTXLD-UHFFFAOYSA-N
MW433.95 g/mol
LogP4.24
Rot. Bonds5

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

7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169365) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169365
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC Name7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cccc(Cl)c1
InChIInChI=1S/C23H24ClN7/c1-16(2)21-20(15-31(26-21)19-9-4-3-5-10-19)22-23-25-27-28-30(23)12-11-29(22)14-17-7-6-8-18(24)13-17/h3-10,13,15-16,22H,11-12,14H2,1-2H3
InChIKeyWUUHCECRQWTXLD-UHFFFAOYSA-N
XLogP4.24
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169365) is 7-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cccc(Cl)c1.
What is the InChIKey of 7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is WUUHCECRQWTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-16(2)21-20(15-31(26-21)19-9-4-3-5-10-19)22-23-25-27-28-30(23)12-11-29(22)14-17-7-6-8-18(24)13-17/h3-10,13,15-16,22H,11-12,14H2,1-2H3.
What are the key properties of 7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 433.95 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).