4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C15H17N5O2S — CID 167764172

IUPAC4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1csc(CNc2nccn3nc(C(=O)O)cc23)n1
InChIInChI=1S/C15H17N5O2S/c1-15(2,3)11-8-23-12(18-11)7-17-13-10-6-9(14(21)22)19-20(10)5-4-16-13/h4-6,8H,7H2,1-3H3,(H,16,17)(H,21,22)
InChIKeyVOECEURPVZBUNP-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.79
Rot. Bonds4

About 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid

4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 167764172) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID167764172
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1csc(CNc2nccn3nc(C(=O)O)cc23)n1
InChIInChI=1S/C15H17N5O2S/c1-15(2,3)11-8-23-12(18-11)7-17-13-10-6-9(14(21)22)19-20(10)5-4-16-13/h4-6,8H,7H2,1-3H3,(H,16,17)(H,21,22)
InChIKeyVOECEURPVZBUNP-UHFFFAOYSA-N
XLogP2.79
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 113446158
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide
CID 106170571
6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide
CID 133294775
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
CID 104732106
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 104729342
2-[2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethoxy]acetamide
CID 106239775
2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106896589
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
CID 104729690
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 104731728
1-[(4-tert-butyl-1,3-thiazol-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122001026

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 167764172) is 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid is CC(C)(C)c1csc(CNc2nccn3nc(C(=O)O)cc23)n1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is VOECEURPVZBUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-15(2,3)11-8-23-12(18-11)7-17-13-10-6-9(14(21)22)19-20(10)5-4-16-13/h4-6,8H,7H2,1-3H3,(H,16,17)(H,21,22).
What are the key properties of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 331.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167764172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).