N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine

C16H20N6O — CID 163301740

IUPACN-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
SMILESCNC1CC(Oc2nc(-c3cnn(C)c3)cn3ncc(C)c23)C1
InChIInChI=1S/C16H20N6O/c1-10-6-19-22-9-14(11-7-18-21(3)8-11)20-16(15(10)22)23-13-4-12(5-13)17-2/h6-9,12-13,17H,4-5H2,1-3H3
InChIKeyGBCHETCKQNDMFZ-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.57
Rot. Bonds4

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

N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine (PubChem CID 163301740) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
PubChem CID163301740
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
SMILESCNC1CC(Oc2nc(-c3cnn(C)c3)cn3ncc(C)c23)C1
InChIInChI=1S/C16H20N6O/c1-10-6-19-22-9-14(11-7-18-21(3)8-11)20-16(15(10)22)23-13-4-12(5-13)17-2/h6-9,12-13,17H,4-5H2,1-3H3
InChIKeyGBCHETCKQNDMFZ-UHFFFAOYSA-N
XLogP1.57
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4R)-azepan-4-yl]oxy-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 167070861
(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine
CID 167070776
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine
CID 163301689
N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
CID 163301760
4-[(4R)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 163302265
N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
CID 163302035
(E)-4-(dimethylamino)-N-[(1S,3R)-3-[3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]but-2-enamide
CID 163302165
methyl N-tert-butyl-N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]carbamate
CID 163302027
tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate
CID 163301622
1-[(3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-6-azabicyclo[3.2.0]heptan-6-yl]prop-2-en-1-one
CID 163301693
1-[(1S,3R,5S)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-6-azabicyclo[3.2.0]heptan-6-yl]prop-2-en-1-one
CID 169221612
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The IUPAC name of N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine (CID 163301740) is N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The canonical SMILES for N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine is CNC1CC(Oc2nc(-c3cnn(C)c3)cn3ncc(C)c23)C1.
What is the InChIKey of N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The InChIKey is GBCHETCKQNDMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10-6-19-22-9-14(11-7-18-21(3)8-11)20-16(15(10)22)23-13-4-12(5-13)17-2/h6-9,12-13,17H,4-5H2,1-3H3.
What are the key properties of N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine has a molecular weight of 312.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 163301740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).