2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C18H25N7 — CID 70715313

IUPAC2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCCn1nc(C)c(CCn2ccnc2-c2cc3n(n2)CCNC3)c1C
InChIInChI=1S/C18H25N7/c1-4-24-14(3)16(13(2)21-24)5-8-23-9-7-20-18(23)17-11-15-12-19-6-10-25(15)22-17/h7,9,11,19H,4-6,8,10,12H2,1-3H3
InChIKeyXSQASHYAEQQQOM-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.93
Rot. Bonds5

About 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 70715313) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID70715313
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCCn1nc(C)c(CCn2ccnc2-c2cc3n(n2)CCNC3)c1C
InChIInChI=1S/C18H25N7/c1-4-24-14(3)16(13(2)21-24)5-8-23-9-7-20-18(23)17-11-15-12-19-6-10-25(15)22-17/h7,9,11,19H,4-6,8,10,12H2,1-3H3
InChIKeyXSQASHYAEQQQOM-UHFFFAOYSA-N
XLogP1.93
TPSA65.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 70715313) is 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CCn1nc(C)c(CCn2ccnc2-c2cc3n(n2)CCNC3)c1C.
What is the InChIKey of 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is XSQASHYAEQQQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-4-24-14(3)16(13(2)21-24)5-8-23-9-7-20-18(23)17-11-15-12-19-6-10-25(15)22-17/h7,9,11,19H,4-6,8,10,12H2,1-3H3.
What are the key properties of 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 339.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 70715313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).