2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide

C13H19N5O — CID 104730960

IUPAC2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
SMILESCC(C)c1cc2c(NC(C)(C)C(N)=O)nccn2n1
InChIInChI=1S/C13H19N5O/c1-8(2)9-7-10-11(15-5-6-18(10)17-9)16-13(3,4)12(14)19/h5-8H,1-4H3,(H2,14,19)(H,15,16)
InChIKeyJEODXZBWKCOGLN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide

2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide (PubChem CID 104730960) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
PubChem CID104730960
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
SMILESCC(C)c1cc2c(NC(C)(C)C(N)=O)nccn2n1
InChIInChI=1S/C13H19N5O/c1-8(2)9-7-10-11(15-5-6-18(10)17-9)16-13(3,4)12(14)19/h5-8H,1-4H3,(H2,14,19)(H,15,16)
InChIKeyJEODXZBWKCOGLN-UHFFFAOYSA-N
XLogP1.53
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446123
5-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanamide
CID 106238782
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
CID 104732050
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104730488
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731980
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol
CID 107153114
methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 104733378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide?
The IUPAC name of 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide (CID 104730960) is 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide.
What is the SMILES notation for 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide?
The canonical SMILES for 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide is CC(C)c1cc2c(NC(C)(C)C(N)=O)nccn2n1.
What is the InChIKey of 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide?
The InChIKey is JEODXZBWKCOGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(2)9-7-10-11(15-5-6-18(10)17-9)16-13(3,4)12(14)19/h5-8H,1-4H3,(H2,14,19)(H,15,16).
What are the key properties of 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide?
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide has a molecular weight of 261.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide is sourced from PubChem (CID 104730960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).