2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid

C15H20N4O2 — CID 104729582

IUPAC2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid
SMILESCC(C)(C)c1cc2c(N3CC(CC(=O)O)C3)nccn2n1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)12-7-11-14(16-4-5-19(11)17-12)18-8-10(9-18)6-13(20)21/h4-5,7,10H,6,8-9H2,1-3H3,(H,20,21)
InChIKeyZPQGKPNFLCDJLM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.94
Rot. Bonds3

About 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid

2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid (PubChem CID 104729582) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid
PubChem CID104729582
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid
SMILESCC(C)(C)c1cc2c(N3CC(CC(=O)O)C3)nccn2n1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)12-7-11-14(16-4-5-19(11)17-12)18-8-10(9-18)6-13(20)21/h4-5,7,10H,6,8-9H2,1-3H3,(H,20,21)
InChIKeyZPQGKPNFLCDJLM-UHFFFAOYSA-N
XLogP1.94
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 104892904
1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol
CID 104733153
2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104977429
[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]methanamine
CID 104729881
2-[1-(3-oxo-4-propylpyrazin-2-yl)azetidin-3-yl]acetic acid
CID 64618257
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]methanamine
CID 104734304
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
CID 104729317
2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid
CID 64616457
(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
CID 104892889
3-[[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
CID 171327533
6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one
CID 139019410

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid (CID 104729582) is 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid is CC(C)(C)c1cc2c(N3CC(CC(=O)O)C3)nccn2n1.
What is the InChIKey of 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is ZPQGKPNFLCDJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)12-7-11-14(16-4-5-19(11)17-12)18-8-10(9-18)6-13(20)21/h4-5,7,10H,6,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid?
2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 104729582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).