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

C15H22N4O2 — CID 104729371

IUPAC3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
SMILESCC(C)c1cc2c(N(CCC(=O)O)C(C)C)nccn2n1
InChIInChI=1S/C15H22N4O2/c1-10(2)12-9-13-15(16-6-8-19(13)17-12)18(11(3)4)7-5-14(20)21/h6,8-11H,5,7H2,1-4H3,(H,20,21)
InChIKeySCKFWUORIWEYCY-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.54
Rot. Bonds6

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

3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid (PubChem CID 104729371) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
PubChem CID104729371
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
SMILESCC(C)c1cc2c(N(CCC(=O)O)C(C)C)nccn2n1
InChIInChI=1S/C15H22N4O2/c1-10(2)12-9-13-15(16-6-8-19(13)17-12)18(11(3)4)7-5-14(20)21/h6,8-11H,5,7H2,1-4H3,(H,20,21)
InChIKeySCKFWUORIWEYCY-UHFFFAOYSA-N
XLogP2.54
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid
CID 113446120
4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid
CID 104729549
1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
CID 104733077
N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734078
N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113499999
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
2-[cyclobutyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 102869205
N',2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729893
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446123
N'-(2-methylpropyl)-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729896
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid (CID 104729371) is 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid is CC(C)c1cc2c(N(CCC(=O)O)C(C)C)nccn2n1.
What is the InChIKey of 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
The InChIKey is SCKFWUORIWEYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)12-9-13-15(16-6-8-19(13)17-12)18(11(3)4)7-5-14(20)21/h6,8-11H,5,7H2,1-4H3,(H,20,21).
What are the key properties of 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid?
3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid has a molecular weight of 290.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid is sourced from PubChem (CID 104729371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).