4-hydroxy-N-(1H-indazol-7-yl)pentanamide

C12H15N3O2 — CID 79200987

IUPAC4-hydroxy-N-(1H-indazol-7-yl)pentanamide
SMILESCC(O)CCC(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H15N3O2/c1-8(16)5-6-11(17)14-10-4-2-3-9-7-13-15-12(9)10/h2-4,7-8,16H,5-6H2,1H3,(H,13,15)(H,14,17)
InChIKeyUQPRAYJGPAXBDD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.66
Rot. Bonds4

About 4-hydroxy-N-(1H-indazol-7-yl)pentanamide

4-hydroxy-N-(1H-indazol-7-yl)pentanamide (PubChem CID 79200987) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-indazol-7-yl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-indazol-7-yl)pentanamide
PubChem CID79200987
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-hydroxy-N-(1H-indazol-7-yl)pentanamide
SMILESCC(O)CCC(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H15N3O2/c1-8(16)5-6-11(17)14-10-4-2-3-9-7-13-15-12(9)10/h2-4,7-8,16H,5-6H2,1H3,(H,13,15)(H,14,17)
InChIKeyUQPRAYJGPAXBDD-UHFFFAOYSA-N
XLogP1.66
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-indazol-7-yl)pentanamide?
The IUPAC name of 4-hydroxy-N-(1H-indazol-7-yl)pentanamide (CID 79200987) is 4-hydroxy-N-(1H-indazol-7-yl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(1H-indazol-7-yl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(1H-indazol-7-yl)pentanamide is CC(O)CCC(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of 4-hydroxy-N-(1H-indazol-7-yl)pentanamide?
The InChIKey is UQPRAYJGPAXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(16)5-6-11(17)14-10-4-2-3-9-7-13-15-12(9)10/h2-4,7-8,16H,5-6H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 4-hydroxy-N-(1H-indazol-7-yl)pentanamide?
4-hydroxy-N-(1H-indazol-7-yl)pentanamide has a molecular weight of 233.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-indazol-7-yl)pentanamide is sourced from PubChem (CID 79200987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).