2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C21H25N5O — CID 70709789

IUPAC2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(C2(Cn3ccnc3-c3cc4n(n3)CCNC4)CCOCC2)cc1
InChIInChI=1S/C21H25N5O/c1-2-4-17(5-3-1)21(6-12-27-13-7-21)16-25-10-9-23-20(25)19-14-18-15-22-8-11-26(18)24-19/h1-5,9-10,14,22H,6-8,11-13,15-16H2
InChIKeyBBTRJQAORAHDGM-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.60
Rot. Bonds4

About 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 70709789) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID70709789
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(C2(Cn3ccnc3-c3cc4n(n3)CCNC4)CCOCC2)cc1
InChIInChI=1S/C21H25N5O/c1-2-4-17(5-3-1)21(6-12-27-13-7-21)16-25-10-9-23-20(25)19-14-18-15-22-8-11-26(18)24-19/h1-5,9-10,14,22H,6-8,11-13,15-16H2
InChIKeyBBTRJQAORAHDGM-UHFFFAOYSA-N
XLogP2.60
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 70709789) is 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is c1ccc(C2(Cn3ccnc3-c3cc4n(n3)CCNC4)CCOCC2)cc1.
What is the InChIKey of 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is BBTRJQAORAHDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-4-17(5-3-1)21(6-12-27-13-7-21)16-25-10-9-23-20(25)19-14-18-15-22-8-11-26(18)24-19/h1-5,9-10,14,22H,6-8,11-13,15-16H2.
What are the key properties of 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 363.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 70709789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).