5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C11H14N4O3 — CID 58465668

IUPAC5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NO)c1cc2n(n1)CCN(CC1CC1)C2=O
InChIInChI=1S/C11H14N4O3/c16-10(13-18)8-5-9-11(17)14(6-7-1-2-7)3-4-15(9)12-8/h5,7,18H,1-4,6H2,(H,13,16)
InChIKeySDKJNGDTRUMBJP-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.13
Rot. Bonds3

About 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 58465668) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID58465668
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NO)c1cc2n(n1)CCN(CC1CC1)C2=O
InChIInChI=1S/C11H14N4O3/c16-10(13-18)8-5-9-11(17)14(6-7-1-2-7)3-4-15(9)12-8/h5,7,18H,1-4,6H2,(H,13,16)
InChIKeySDKJNGDTRUMBJP-UHFFFAOYSA-N
XLogP-0.13
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 58465668) is 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NO)c1cc2n(n1)CCN(CC1CC1)C2=O.
What is the InChIKey of 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is SDKJNGDTRUMBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-10(13-18)8-5-9-11(17)14(6-7-1-2-7)3-4-15(9)12-8/h5,7,18H,1-4,6H2,(H,13,16).
What are the key properties of 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 58465668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).