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

C14H20N4O2 — CID 104729700

IUPAC2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
SMILESCC(CCNc1nccn2nc(C(C)C)cc12)C(=O)O
InChIInChI=1S/C14H20N4O2/c1-9(2)11-8-12-13(16-6-7-18(12)17-11)15-5-4-10(3)14(19)20/h6-10H,4-5H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyCUQNQPBVQFRLCP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds6

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

2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid (PubChem CID 104729700) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
PubChem CID104729700
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
SMILESCC(CCNc1nccn2nc(C(C)C)cc12)C(=O)O
InChIInChI=1S/C14H20N4O2/c1-9(2)11-8-12-13(16-6-7-18(12)17-11)15-5-4-10(3)14(19)20/h6-10H,4-5H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyCUQNQPBVQFRLCP-UHFFFAOYSA-N
XLogP2.38
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid with MolForge

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Related Compounds

2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446632
2-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]butanoic acid
CID 104729603
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
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]ethyl carbamate
CID 104732050
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104730488
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446123
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid (CID 104729700) is 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid is CC(CCNc1nccn2nc(C(C)C)cc12)C(=O)O.
What is the InChIKey of 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid?
The InChIKey is CUQNQPBVQFRLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)11-8-12-13(16-6-7-18(12)17-11)15-5-4-10(3)14(19)20/h6-10H,4-5H2,1-3H3,(H,15,16)(H,19,20).
What are the key properties of 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid?
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid is sourced from PubChem (CID 104729700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).