N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C13H15N5O3 — CID 58465584

IUPACN-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCn1cccc1C(=O)N1CCn2nc(C(=O)NO)cc2C1
InChIInChI=1S/C13H15N5O3/c1-16-4-2-3-11(16)13(20)17-5-6-18-9(8-17)7-10(14-18)12(19)15-21/h2-4,7,21H,5-6,8H2,1H3,(H,15,19)
InChIKeyKMSICMDUXFRYHT-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.00
Rot. Bonds2

About N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 58465584) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID58465584
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCn1cccc1C(=O)N1CCn2nc(C(=O)NO)cc2C1
InChIInChI=1S/C13H15N5O3/c1-16-4-2-3-11(16)13(20)17-5-6-18-9(8-17)7-10(14-18)12(19)15-21/h2-4,7,21H,5-6,8H2,1H3,(H,15,19)
InChIKeyKMSICMDUXFRYHT-UHFFFAOYSA-N
XLogP-0.00
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 58465584) is N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cn1cccc1C(=O)N1CCn2nc(C(=O)NO)cc2C1.
What is the InChIKey of N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is KMSICMDUXFRYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-16-4-2-3-11(16)13(20)17-5-6-18-9(8-17)7-10(14-18)12(19)15-21/h2-4,7,21H,5-6,8H2,1H3,(H,15,19).
What are the key properties of N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 289.30 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 58465584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).