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

C15H23N5O — CID 104732106

IUPAC3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H23N5O/c1-5-16-13(21)6-7-17-14-11-10-12(15(2,3)4)19-20(11)9-8-18-14/h8-10H,5-7H2,1-4H3,(H,16,21)(H,17,18)
InChIKeyXCDKTLAODPFOCW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.96
Rot. Bonds5

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

3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide (PubChem CID 104732106) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
PubChem CID104732106
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H23N5O/c1-5-16-13(21)6-7-17-14-11-10-12(15(2,3)4)19-20(11)9-8-18-14/h8-10H,5-7H2,1-4H3,(H,16,21)(H,17,18)
InChIKeyXCDKTLAODPFOCW-UHFFFAOYSA-N
XLogP1.96
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanamide
CID 104732108
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-[2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethoxy]acetamide
CID 106239775
2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
CID 116644524
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731973
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide
CID 106170571
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114468923
2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733925
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide?
The IUPAC name of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide (CID 104732106) is 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide is CCNC(=O)CCNc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide?
The InChIKey is XCDKTLAODPFOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-16-13(21)6-7-17-14-11-10-12(15(2,3)4)19-20(11)9-8-18-14/h8-10H,5-7H2,1-4H3,(H,16,21)(H,17,18).
What are the key properties of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide?
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 104732106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).