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

C13H19N5O2 — CID 106170571

IUPAC3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide
SMILESCC(C)(C)c1cc2c(NCC(O)C(N)=O)nccn2n1
InChIInChI=1S/C13H19N5O2/c1-13(2,3)10-6-8-12(15-4-5-18(8)17-10)16-7-9(19)11(14)20/h4-6,9,19H,7H2,1-3H3,(H2,14,20)(H,15,16)
InChIKeyBEKLJPKRYSAYMU-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.28
Rot. Bonds4

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

3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 106170571) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide
PubChem CID106170571
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide
SMILESCC(C)(C)c1cc2c(NCC(O)C(N)=O)nccn2n1
InChIInChI=1S/C13H19N5O2/c1-13(2,3)10-6-8-12(15-4-5-18(8)17-10)16-7-9(19)11(14)20/h4-6,9,19H,7H2,1-3H3,(H2,14,20)(H,15,16)
InChIKeyBEKLJPKRYSAYMU-UHFFFAOYSA-N
XLogP0.28
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 104731728
2-[2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethoxy]acetamide
CID 106239775
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
CID 104732106
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N,N-dimethylpropanamide
CID 104731043
2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
CID 104734259
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,2-diamine
CID 104732617

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide (CID 106170571) is 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide is CC(C)(C)c1cc2c(NCC(O)C(N)=O)nccn2n1.
What is the InChIKey of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is BEKLJPKRYSAYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-13(2,3)10-6-8-12(15-4-5-18(8)17-10)16-7-9(19)11(14)20/h4-6,9,19H,7H2,1-3H3,(H2,14,20)(H,15,16).
What are the key properties of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide?
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 277.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106170571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).