4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C19H23N7 — CID 121390900

IUPAC4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(C)(CC)n1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)cn1
InChIInChI=1S/C19H23N7/c1-5-19(3,6-2)26-12-15(10-22-26)18-17-7-8-20-25(17)13-16(23-18)14-9-21-24(4)11-14/h7-13H,5-6H2,1-4H3
InChIKeyIRPRWEJXPIFLLK-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.53
Rot. Bonds5

About 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121390900) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121390900
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(C)(CC)n1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)cn1
InChIInChI=1S/C19H23N7/c1-5-19(3,6-2)26-12-15(10-22-26)18-17-7-8-20-25(17)13-16(23-18)14-9-21-24(4)11-14/h7-13H,5-6H2,1-4H3
InChIKeyIRPRWEJXPIFLLK-UHFFFAOYSA-N
XLogP3.53
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121390900) is 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(C)(CC)n1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)cn1.
What is the InChIKey of 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is IRPRWEJXPIFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-5-19(3,6-2)26-12-15(10-22-26)18-17-7-8-20-25(17)13-16(23-18)14-9-21-24(4)11-14/h7-13H,5-6H2,1-4H3.
What are the key properties of 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 349.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylpentan-3-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121390900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).