N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide

C12H17N5O — CID 104732075

IUPACN-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
SMILESCC(C)CNC(=O)CNc1nccn2nccc12
InChIInChI=1S/C12H17N5O/c1-9(2)7-14-11(18)8-15-12-10-3-4-16-17(10)6-5-13-12/h3-6,9H,7-8H2,1-2H3,(H,13,15)(H,14,18)
InChIKeyOGNACQGXQQVFLS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.91
Rot. Bonds5

About N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide

N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide (PubChem CID 104732075) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
PubChem CID104732075
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
SMILESCC(C)CNC(=O)CNc1nccn2nccc12
InChIInChI=1S/C12H17N5O/c1-9(2)7-14-11(18)8-15-12-10-3-4-16-17(10)6-5-13-12/h3-6,9H,7-8H2,1-2H3,(H,13,15)(H,14,18)
InChIKeyOGNACQGXQQVFLS-UHFFFAOYSA-N
XLogP0.91
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide (CID 104732075) is N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide is CC(C)CNC(=O)CNc1nccn2nccc12.
What is the InChIKey of N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide?
The InChIKey is OGNACQGXQQVFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)7-14-11(18)8-15-12-10-3-4-16-17(10)6-5-13-12/h3-6,9H,7-8H2,1-2H3,(H,13,15)(H,14,18).
What are the key properties of N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide?
N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide is sourced from PubChem (CID 104732075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).