trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine

C18H24N6O — CID 163301814

IUPACtrans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
SMILESCN[C@H]1C[C@@](C)(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1(C)C
InChIInChI=1S/C18H24N6O/c1-17(2)15(19-4)8-18(17,3)25-16-14-6-7-20-24(14)11-13(22-16)12-9-21-23(5)10-12/h6-7,9-11,15,19H,8H2,1-5H3/t15-,18+/m0/s1
InChIKeyVCEFLOUJVRGWMR-MAUKXSAKSA-N
MW340.43 g/mol
LogP2.29
Rot. Bonds4

About trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine

trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine (PubChem CID 163301814) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
PubChem CID163301814
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Nametrans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
SMILESCN[C@H]1C[C@@](C)(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1(C)C
InChIInChI=1S/C18H24N6O/c1-17(2)15(19-4)8-18(17,3)25-16-14-6-7-20-24(14)11-13(22-16)12-9-21-23(5)10-12/h6-7,9-11,15,19H,8H2,1-5H3/t15-,18+/m0/s1
InChIKeyVCEFLOUJVRGWMR-MAUKXSAKSA-N
XLogP2.29
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride
CID 171046390
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine
CID 163301689
(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine
CID 167070776
4-[(4S)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 163301646
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]ethanone
CID 163302299
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride
CID 172552286
N-methyl-N-[(1R,3R,6S)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-bicyclo[4.2.0]oct-7-ynyl]but-2-ynamide
CID 167070898
N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
CID 163301909
tert-butyl 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazetidine-1-carboxylate
CID 163301724
ethane;N-methyl-N-[[(1R)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]methyl]prop-2-enamide
CID 163301389
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]prop-2-yn-1-one
CID 163301962
N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]prop-2-enamide
CID 163302325

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The IUPAC name of trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine (CID 163301814) is trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The canonical SMILES for trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine is CN[C@H]1C[C@@](C)(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1(C)C.
What is the InChIKey of trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The InChIKey is VCEFLOUJVRGWMR-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H24N6O/c1-17(2)15(19-4)8-18(17,3)25-16-14-6-7-20-24(14)11-13(22-16)12-9-21-23(5)10-12/h6-7,9-11,15,19H,8H2,1-5H3/t15-,18+/m0/s1.
What are the key properties of trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine has a molecular weight of 340.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-N,2,2,3-tetramethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 163301814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).