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

C17H17N5O3 — CID 58465705

IUPACN-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCn1c(C(=O)N2CCn3nc(C(=O)NO)cc3C2)cc2ccccc21
InChIInChI=1S/C17H17N5O3/c1-20-14-5-3-2-4-11(14)8-15(20)17(24)21-6-7-22-12(10-21)9-13(18-22)16(23)19-25/h2-5,8-9,25H,6-7,10H2,1H3,(H,19,23)
InChIKeyODOAGJBJOFXVAD-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.15
Rot. Bonds2

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

N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 58465705) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID58465705
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCn1c(C(=O)N2CCn3nc(C(=O)NO)cc3C2)cc2ccccc21
InChIInChI=1S/C17H17N5O3/c1-20-14-5-3-2-4-11(14)8-15(20)17(24)21-6-7-22-12(10-21)9-13(18-22)16(23)19-25/h2-5,8-9,25H,6-7,10H2,1H3,(H,19,23)
InChIKeyODOAGJBJOFXVAD-UHFFFAOYSA-N
XLogP1.15
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.15
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-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 58465705) is N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cn1c(C(=O)N2CCn3nc(C(=O)NO)cc3C2)cc2ccccc21.
What is the InChIKey of N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ODOAGJBJOFXVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-20-14-5-3-2-4-11(14)8-15(20)17(24)21-6-7-22-12(10-21)9-13(18-22)16(23)19-25/h2-5,8-9,25H,6-7,10H2,1H3,(H,19,23).
What are the key properties of N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-hydroxy-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.15, 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-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 58465705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).