N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C13H15N5O3S — CID 53475968

IUPACN-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCn3nc(C(=O)NO)cc3C2)cs1
InChIInChI=1S/C13H15N5O3S/c1-8-14-9(7-22-8)4-12(19)17-2-3-18-10(6-17)5-11(15-18)13(20)16-21/h5,7,21H,2-4,6H2,1H3,(H,16,20)
InChIKeyNQKSBZTVTRMECL-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.35
Rot. Bonds3

About N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 53475968) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID53475968
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC NameN-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCn3nc(C(=O)NO)cc3C2)cs1
InChIInChI=1S/C13H15N5O3S/c1-8-14-9(7-22-8)4-12(19)17-2-3-18-10(6-17)5-11(15-18)13(20)16-21/h5,7,21H,2-4,6H2,1H3,(H,16,20)
InChIKeyNQKSBZTVTRMECL-UHFFFAOYSA-N
XLogP0.35
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 53475968) is N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1nc(CC(=O)N2CCn3nc(C(=O)NO)cc3C2)cs1.
What is the InChIKey of N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NQKSBZTVTRMECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c1-8-14-9(7-22-8)4-12(19)17-2-3-18-10(6-17)5-11(15-18)13(20)16-21/h5,7,21H,2-4,6H2,1H3,(H,16,20).
What are the key properties of N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 53475968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).