2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid

C13H18N4O2 — CID 113446134

IUPAC2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
SMILESCC(CNc1nccn2nc(C(C)C)cc12)C(=O)O
InChIInChI=1S/C13H18N4O2/c1-8(2)10-6-11-12(14-4-5-17(11)16-10)15-7-9(3)13(18)19/h4-6,8-9H,7H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyPOVZUXRNTBSEFC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.99
Rot. Bonds5

About 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid

2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid (PubChem CID 113446134) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
PubChem CID113446134
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
SMILESCC(CNc1nccn2nc(C(C)C)cc12)C(=O)O
InChIInChI=1S/C13H18N4O2/c1-8(2)10-6-11-12(14-4-5-17(11)16-10)15-7-9(3)13(18)19/h4-6,8-9H,7H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyPOVZUXRNTBSEFC-UHFFFAOYSA-N
XLogP1.99
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
2-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]butanoic acid
CID 104729603
4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol
CID 107153114
methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104730488
N,2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104732791
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446123
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
N-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetamide
CID 104730726
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid
CID 104729549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid (CID 113446134) is 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid is CC(CNc1nccn2nc(C(C)C)cc12)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The InChIKey is POVZUXRNTBSEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)10-6-11-12(14-4-5-17(11)16-10)15-7-9(3)13(18)19/h4-6,8-9H,7H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid is sourced from PubChem (CID 113446134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).