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

C17H22N6O — CID 163301689

IUPACcis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine
SMILESCN[C@H]1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C17H22N6O/c1-18-13-4-3-5-14(8-13)24-17-16-6-7-19-23(16)11-15(21-17)12-9-20-22(2)10-12/h6-7,9-11,13-14,18H,3-5,8H2,1-2H3/t13-,14+/m0/s1
InChIKeyWRWYTGVYTVSLKT-UONOGXRCSA-N
MW326.40 g/mol
LogP2.04
Rot. Bonds4

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

cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine (PubChem CID 163301689) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine
PubChem CID163301689
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Namecis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine
SMILESCN[C@H]1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C17H22N6O/c1-18-13-4-3-5-14(8-13)24-17-16-6-7-19-23(16)11-15(21-17)12-9-20-22(2)10-12/h6-7,9-11,13-14,18H,3-5,8H2,1-2H3/t13-,14+/m0/s1
InChIKeyWRWYTGVYTVSLKT-UONOGXRCSA-N
XLogP2.04
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine (CID 163301689) is cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine is CN[C@H]1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1.
What is the InChIKey of cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine?
The InChIKey is WRWYTGVYTVSLKT-UONOGXRCSA-N. The full InChI is InChI=1S/C17H22N6O/c1-18-13-4-3-5-14(8-13)24-17-16-6-7-19-23(16)11-15(21-17)12-9-20-22(2)10-12/h6-7,9-11,13-14,18H,3-5,8H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine?
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine has a molecular weight of 326.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine is sourced from PubChem (CID 163301689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).