N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide

C23H26N6O4 — CID 155537060

IUPACN-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide
SMILESCc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cnn(C)c3C(=O)NO)cc2)n[nH]1
InChIInChI=1S/C23H26N6O4/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)22(31)25-19-12-24-29(2)20(19)23(32)28-33/h7-12,16-17,33H,3-6H2,1-2H3,(H,25,31)(H,26,27)(H,28,32)/t16-,17-/m1/s1
InChIKeyDKULZVGJYQHINL-IAGOWNOFSA-N
MW450.50 g/mol
LogP2.87
Rot. Bonds6

About N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide

N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide (PubChem CID 155537060) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide
PubChem CID155537060
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC NameN-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide
SMILESCc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cnn(C)c3C(=O)NO)cc2)n[nH]1
InChIInChI=1S/C23H26N6O4/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)22(31)25-19-12-24-29(2)20(19)23(32)28-33/h7-12,16-17,33H,3-6H2,1-2H3,(H,25,31)(H,26,27)(H,28,32)/t16-,17-/m1/s1
InChIKeyDKULZVGJYQHINL-IAGOWNOFSA-N
XLogP2.87
TPSA142.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide (CID 155537060) is N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide is Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cnn(C)c3C(=O)NO)cc2)n[nH]1.
What is the InChIKey of N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide?
The InChIKey is DKULZVGJYQHINL-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)22(31)25-19-12-24-29(2)20(19)23(32)28-33/h7-12,16-17,33H,3-6H2,1-2H3,(H,25,31)(H,26,27)(H,28,32)/t16-,17-/m1/s1.
What are the key properties of N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide?
N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 155537060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).