cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine

C15H17FN6O — CID 163301653

IUPACcis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine
SMILESCn1cc(-c2cn3ncc(F)c3c(O[C@@H]3CC[C@H](N)C3)n2)cn1
InChIInChI=1S/C15H17FN6O/c1-21-7-9(5-18-21)13-8-22-14(12(16)6-19-22)15(20-13)23-11-3-2-10(17)4-11/h5-8,10-11H,2-4,17H2,1H3/t10-,11+/m0/s1
InChIKeyUELKUEAAHURVHB-WDEREUQCSA-N
MW316.34 g/mol
LogP1.53
Rot. Bonds3

About cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine

cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine (PubChem CID 163301653) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine
PubChem CID163301653
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Namecis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine
SMILESCn1cc(-c2cn3ncc(F)c3c(O[C@@H]3CC[C@H](N)C3)n2)cn1
InChIInChI=1S/C15H17FN6O/c1-21-7-9(5-18-21)13-8-22-14(12(16)6-19-22)15(20-13)23-11-3-2-10(17)4-11/h5-8,10-11H,2-4,17H2,1H3/t10-,11+/m0/s1
InChIKeyUELKUEAAHURVHB-WDEREUQCSA-N
XLogP1.53
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine (CID 163301653) is cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine is Cn1cc(-c2cn3ncc(F)c3c(O[C@@H]3CC[C@H](N)C3)n2)cn1.
What is the InChIKey of cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine?
The InChIKey is UELKUEAAHURVHB-WDEREUQCSA-N. The full InChI is InChI=1S/C15H17FN6O/c1-21-7-9(5-18-21)13-8-22-14(12(16)6-19-22)15(20-13)23-11-3-2-10(17)4-11/h5-8,10-11H,2-4,17H2,1H3/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine?
cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine has a molecular weight of 316.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentan-1-amine is sourced from PubChem (CID 163301653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).