2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol

C13H20N4O2 — CID 104731728

IUPAC2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
SMILESCC(C)(C)c1cc2c(NC(CO)CO)nccn2n1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)11-6-10-12(15-9(7-18)8-19)14-4-5-17(10)16-11/h4-6,9,18-19H,7-8H2,1-3H3,(H,14,15)
InChIKeyZZDFOJCAMJKYLA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.79
Rot. Bonds4

About 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol

2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol (PubChem CID 104731728) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
PubChem CID104731728
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
SMILESCC(C)(C)c1cc2c(NC(CO)CO)nccn2n1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)11-6-10-12(15-9(7-18)8-19)14-4-5-17(10)16-11/h4-6,9,18-19H,7-8H2,1-3H3,(H,14,15)
InChIKeyZZDFOJCAMJKYLA-UHFFFAOYSA-N
XLogP0.79
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,2-diamine
CID 104732617
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
CID 113480150
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N,N-dimethylpropanamide
CID 104731043
2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106231271
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide
CID 106170571
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
CID 104729773
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol (CID 104731728) is 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol is CC(C)(C)c1cc2c(NC(CO)CO)nccn2n1.
What is the InChIKey of 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol?
The InChIKey is ZZDFOJCAMJKYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)11-6-10-12(15-9(7-18)8-19)14-4-5-17(10)16-11/h4-6,9,18-19H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol?
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol has a molecular weight of 264.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 104731728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).