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

C25H29N7O — CID 118169368

IUPAC7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCCOc1ccc(CN2CCn3nnnc3C2c2cn(-c3ccccc3)nc2C(C)C)cc1
InChIInChI=1S/C25H29N7O/c1-4-33-21-12-10-19(11-13-21)16-30-14-15-31-25(26-28-29-31)24(30)22-17-32(27-23(22)18(2)3)20-8-6-5-7-9-20/h5-13,17-18,24H,4,14-16H2,1-3H3
InChIKeyZFRGMPIYWJVILV-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.99
Rot. Bonds7

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

7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169368) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169368
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCCOc1ccc(CN2CCn3nnnc3C2c2cn(-c3ccccc3)nc2C(C)C)cc1
InChIInChI=1S/C25H29N7O/c1-4-33-21-12-10-19(11-13-21)16-30-14-15-31-25(26-28-29-31)24(30)22-17-32(27-23(22)18(2)3)20-8-6-5-7-9-20/h5-13,17-18,24H,4,14-16H2,1-3H3
InChIKeyZFRGMPIYWJVILV-UHFFFAOYSA-N
XLogP3.99
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethoxyphenyl)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-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169368) is 7-[(4-ethoxyphenyl)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-ethoxyphenyl)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-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CCOc1ccc(CN2CCn3nnnc3C2c2cn(-c3ccccc3)nc2C(C)C)cc1.
What is the InChIKey of 7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is ZFRGMPIYWJVILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-4-33-21-12-10-19(11-13-21)16-30-14-15-31-25(26-28-29-31)24(30)22-17-32(27-23(22)18(2)3)20-8-6-5-7-9-20/h5-13,17-18,24H,4,14-16H2,1-3H3.
What are the key properties of 7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 443.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethoxyphenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).