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

C14H20N4O2 — CID 104729549

IUPAC4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid
SMILESCC(CCC(=O)O)Nc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C14H20N4O2/c1-9(2)11-8-12-14(15-6-7-18(12)17-11)16-10(3)4-5-13(19)20/h6-10H,4-5H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyKNDSQRQKJOPXKZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds6

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

4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid (PubChem CID 104729549) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid
PubChem CID104729549
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid
SMILESCC(CCC(=O)O)Nc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C14H20N4O2/c1-9(2)11-8-12-14(15-6-7-18(12)17-11)16-10(3)4-5-13(19)20/h6-10H,4-5H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyKNDSQRQKJOPXKZ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731643
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
N-ethyl-N-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 103111606
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 104733378
2-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 104729492
2-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]butanoic acid
CID 104729603
(2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol
CID 114983251
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446123
3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 104729371
2-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731449
N-(3-ethylpentan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731511

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid?
The IUPAC name of 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid (CID 104729549) is 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid is CC(CCC(=O)O)Nc1nccn2nc(C(C)C)cc12.
What is the InChIKey of 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid?
The InChIKey is KNDSQRQKJOPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)11-8-12-14(15-6-7-18(12)17-11)16-10(3)4-5-13(19)20/h6-10H,4-5H2,1-3H3,(H,15,16)(H,19,20).
What are the key properties of 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid?
4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 104729549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).