N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

C16H15N5O3 — CID 135403046

IUPACN-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NO)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H15N5O3/c1-24-10-4-2-9(3-5-10)21-15-11(14(19-21)16(22)20-23)6-7-13-12(15)8-17-18-13/h2-5,8,23H,6-7H2,1H3,(H,17,18)(H,20,22)
InChIKeyBUADSBAYKOIBKA-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.49
Rot. Bonds3

About N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403046) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403046
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NO)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H15N5O3/c1-24-10-4-2-9(3-5-10)21-15-11(14(19-21)16(22)20-23)6-7-13-12(15)8-17-18-13/h2-5,8,23H,6-7H2,1H3,(H,17,18)(H,20,22)
InChIKeyBUADSBAYKOIBKA-UHFFFAOYSA-N
XLogP1.49
TPSA105.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
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-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403046) is N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is COc1ccc(-n2nc(C(=O)NO)c3c2-c2cn[nH]c2CC3)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is BUADSBAYKOIBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-24-10-4-2-9(3-5-10)21-15-11(14(19-21)16(22)20-23)6-7-13-12(15)8-17-18-13/h2-5,8,23H,6-7H2,1H3,(H,17,18)(H,20,22).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).