1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol

C13H20N4O — CID 104733077

IUPAC1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1nccn2nc(C(C)C)cc12
InChIInChI=1S/C13H20N4O/c1-9(2)11-7-12-13(16(4)8-10(3)18)14-5-6-17(12)15-11/h5-7,9-10,18H,8H2,1-4H3
InChIKeyWLMQMWVBVXRKFY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds4

About 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol

1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol (PubChem CID 104733077) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
PubChem CID104733077
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1nccn2nc(C(C)C)cc12
InChIInChI=1S/C13H20N4O/c1-9(2)11-7-12-13(16(4)8-10(3)18)14-5-6-17(12)15-11/h5-7,9-10,18H,8H2,1-4H3
InChIKeyWLMQMWVBVXRKFY-UHFFFAOYSA-N
XLogP1.67
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729893
N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734078
N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113499999
3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide
CID 104730009
N'-(2-methylpropyl)-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729896
3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 104729371
2-[cyclobutyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 102869205
4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine
CID 104729261
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-1-N-methylpropane-1,2-diamine
CID 104734218
N'-butyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 104733660
N-ethyl-N-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 103111606
1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
CID 91651052

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol (CID 104733077) is 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol is CC(O)CN(C)c1nccn2nc(C(C)C)cc12.
What is the InChIKey of 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol?
The InChIKey is WLMQMWVBVXRKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)11-7-12-13(16(4)8-10(3)18)14-5-6-17(12)15-11/h5-7,9-10,18H,8H2,1-4H3.
What are the key properties of 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol?
1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol has a molecular weight of 248.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 104733077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).