3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide

C12H17N5OS — CID 122572146

IUPAC3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)c2cc(N)n[nH]2)n1
InChIInChI=1S/C12H17N5OS/c1-12(2,3)8-6-19-10(15-8)5-14-11(18)7-4-9(13)17-16-7/h4,6H,5H2,1-3H3,(H,14,18)(H3,13,16,17)
InChIKeyZIUDBEALQCWBKU-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.68
Rot. Bonds3

About 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 122572146) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID122572146
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)c2cc(N)n[nH]2)n1
InChIInChI=1S/C12H17N5OS/c1-12(2,3)8-6-19-10(15-8)5-14-11(18)7-4-9(13)17-16-7/h4,6H,5H2,1-3H3,(H,14,18)(H3,13,16,17)
InChIKeyZIUDBEALQCWBKU-UHFFFAOYSA-N
XLogP1.68
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide (CID 122572146) is 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide is CC(C)(C)c1csc(CNC(=O)c2cc(N)n[nH]2)n1.
What is the InChIKey of 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZIUDBEALQCWBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-12(2,3)8-6-19-10(15-8)5-14-11(18)7-4-9(13)17-16-7/h4,6H,5H2,1-3H3,(H,14,18)(H3,13,16,17).
What are the key properties of 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122572146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).