N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide

C21H21N5O2 — CID 126601377

IUPACN-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide
SMILESCn1nccc1-c1ccc2c(C(Cc3ccccc3)C(=O)NO)nn(C)c2c1
InChIInChI=1S/C21H21N5O2/c1-25-18(10-11-22-25)15-8-9-16-19(13-15)26(2)23-20(16)17(21(27)24-28)12-14-6-4-3-5-7-14/h3-11,13,17,28H,12H2,1-2H3,(H,24,27)
InChIKeySQGYRCLRAKABGL-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.81
Rot. Bonds5

About N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide

N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide (PubChem CID 126601377) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide
PubChem CID126601377
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide
SMILESCn1nccc1-c1ccc2c(C(Cc3ccccc3)C(=O)NO)nn(C)c2c1
InChIInChI=1S/C21H21N5O2/c1-25-18(10-11-22-25)15-8-9-16-19(13-15)26(2)23-20(16)17(21(27)24-28)12-14-6-4-3-5-7-14/h3-11,13,17,28H,12H2,1-2H3,(H,24,27)
InChIKeySQGYRCLRAKABGL-UHFFFAOYSA-N
XLogP2.81
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.81
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-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide (CID 126601377) is N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide is Cn1nccc1-c1ccc2c(C(Cc3ccccc3)C(=O)NO)nn(C)c2c1.
What is the InChIKey of N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide?
The InChIKey is SQGYRCLRAKABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-25-18(10-11-22-25)15-8-9-16-19(13-15)26(2)23-20(16)17(21(27)24-28)12-14-6-4-3-5-7-14/h3-11,13,17,28H,12H2,1-2H3,(H,24,27).
What are the key properties of N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide?
N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide has a molecular weight of 375.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[1-methyl-6-(2-methylpyrazol-3-yl)indazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 126601377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).