N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine

C17H22N4O — CID 163301669

IUPACN-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine
SMILESC/C=C/c1cn2nccc2c(OC23CC(NC)CCC2C3)n1
InChIInChI=1S/C17H22N4O/c1-3-4-14-11-21-15(7-8-19-21)16(20-14)22-17-9-12(17)5-6-13(10-17)18-2/h3-4,7-8,11-13,18H,5-6,9-10H2,1-2H3/b4-3+
InChIKeyKQYXNRGDYKVNBM-ONEGZZNKSA-N
MW298.39 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine

N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine (PubChem CID 163301669) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine.

Molecular Properties

Compound NameN-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine
PubChem CID163301669
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine
SMILESC/C=C/c1cn2nccc2c(OC23CC(NC)CCC2C3)n1
InChIInChI=1S/C17H22N4O/c1-3-4-14-11-21-15(7-8-19-21)16(20-14)22-17-9-12(17)5-6-13(10-17)18-2/h3-4,7-8,11-13,18H,5-6,9-10H2,1-2H3/b4-3+
InChIKeyKQYXNRGDYKVNBM-ONEGZZNKSA-N
XLogP2.67
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine?
The IUPAC name of N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine (CID 163301669) is N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine.
What is the SMILES notation for N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine?
The canonical SMILES for N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine is C/C=C/c1cn2nccc2c(OC23CC(NC)CCC2C3)n1.
What is the InChIKey of N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine?
The InChIKey is KQYXNRGDYKVNBM-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-14-11-21-15(7-8-19-21)16(20-14)22-17-9-12(17)5-6-13(10-17)18-2/h3-4,7-8,11-13,18H,5-6,9-10H2,1-2H3/b4-3+.
What are the key properties of N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine?
N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine has a molecular weight of 298.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrazin-4-yl]oxybicyclo[4.1.0]heptan-3-amine is sourced from PubChem (CID 163301669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).