1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine

C15H25N5O — CID 104734234

IUPAC1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H25N5O/c1-15(2,3)13-8-12-14(17-6-7-20(12)18-13)19(4)9-11(16)10-21-5/h6-8,11H,9-10,16H2,1-5H3
InChIKeySPXMMIMELOYOGJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.44
Rot. Bonds5

About 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine

1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine (PubChem CID 104734234) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
PubChem CID104734234
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H25N5O/c1-15(2,3)13-8-12-14(17-6-7-20(12)18-13)19(4)9-11(16)10-21-5/h6-8,11H,9-10,16H2,1-5H3
InChIKeySPXMMIMELOYOGJ-UHFFFAOYSA-N
XLogP1.44
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-(2-chloro-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733885
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-1-N-methylpropane-1,2-diamine
CID 104734218
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine
CID 104729815
methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
CID 104733418
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
CID 104729977
4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
CID 104729317
4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide
CID 138052927
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104733681
1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
CID 104733077
N',2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729893
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
1-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 106543345

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine (CID 104734234) is 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine is COCC(N)CN(C)c1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The InChIKey is SPXMMIMELOYOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(2,3)13-8-12-14(17-6-7-20(12)18-13)19(4)9-11(16)10-21-5/h6-8,11H,9-10,16H2,1-5H3.
What are the key properties of 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine?
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine has a molecular weight of 291.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 104734234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).