N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C15H23N5 — CID 104732569

IUPACN-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NC3CCCCNC3)nccn2n1
InChIInChI=1S/C15H23N5/c1-11(2)13-9-14-15(17-7-8-20(14)19-13)18-12-5-3-4-6-16-10-12/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyCMZVIPBDHNERMQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.41
Rot. Bonds3

About N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104732569) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104732569
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NC3CCCCNC3)nccn2n1
InChIInChI=1S/C15H23N5/c1-11(2)13-9-14-15(17-7-8-20(14)19-13)18-12-5-3-4-6-16-10-12/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyCMZVIPBDHNERMQ-UHFFFAOYSA-N
XLogP2.41
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104732569) is N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NC3CCCCNC3)nccn2n1.
What is the InChIKey of N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is CMZVIPBDHNERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11(2)13-9-14-15(17-7-8-20(14)19-13)18-12-5-3-4-6-16-10-12/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104732569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).