2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C18H20ClN5O — CID 70766530

IUPAC2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESClc1ccc(COCCn2ccnc2-c2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C18H20ClN5O/c19-15-3-1-14(2-4-15)13-25-10-9-23-7-6-21-18(23)17-11-16-12-20-5-8-24(16)22-17/h1-4,6-7,11,20H,5,8-10,12-13H2
InChIKeyLYSAXVNQMMPYOG-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.72
Rot. Bonds6

About 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 70766530) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID70766530
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESClc1ccc(COCCn2ccnc2-c2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C18H20ClN5O/c19-15-3-1-14(2-4-15)13-25-10-9-23-7-6-21-18(23)17-11-16-12-20-5-8-24(16)22-17/h1-4,6-7,11,20H,5,8-10,12-13H2
InChIKeyLYSAXVNQMMPYOG-UHFFFAOYSA-N
XLogP2.72
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 70766530) is 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Clc1ccc(COCCn2ccnc2-c2cc3n(n2)CCNC3)cc1.
What is the InChIKey of 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is LYSAXVNQMMPYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-15-3-1-14(2-4-15)13-25-10-9-23-7-6-21-18(23)17-11-16-12-20-5-8-24(16)22-17/h1-4,6-7,11,20H,5,8-10,12-13H2.
What are the key properties of 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 357.85 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-chlorophenyl)methoxy]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 70766530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).