N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C16H23N5 — CID 104732376

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NC3CC4CCC(C3)N4)nccn2n1
InChIInChI=1S/C16H23N5/c1-10(2)14-9-15-16(17-5-6-21(15)20-14)19-13-7-11-3-4-12(8-13)18-11/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyMHKBRCQTIDYJEY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.55
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104732376) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104732376
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NC3CC4CCC(C3)N4)nccn2n1
InChIInChI=1S/C16H23N5/c1-10(2)14-9-15-16(17-5-6-21(15)20-14)19-13-7-11-3-4-12(8-13)18-11/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyMHKBRCQTIDYJEY-UHFFFAOYSA-N
XLogP2.55
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104732376) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NC3CC4CCC(C3)N4)nccn2n1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is MHKBRCQTIDYJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10(2)14-9-15-16(17-5-6-21(15)20-14)19-13-7-11-3-4-12(8-13)18-11/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104732376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).