2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide

C23H19ClN4O3 — CID 15002774

IUPAC2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(-c3ncccc3C(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-27(30)23(29)19-4-3-13-25-22(19)20-14-21(15-5-7-16(24)8-6-15)28(26-20)17-9-11-18(31-2)12-10-17/h3-14,30H,1-2H3
InChIKeyUWPULLSGRCVBMB-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.72
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide

2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide (PubChem CID 15002774) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide
PubChem CID15002774
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(-c3ncccc3C(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-27(30)23(29)19-4-3-13-25-22(19)20-14-21(15-5-7-16(24)8-6-15)28(26-20)17-9-11-18(31-2)12-10-17/h3-14,30H,1-2H3
InChIKeyUWPULLSGRCVBMB-UHFFFAOYSA-N
XLogP4.72
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.72
H-Bond Donors ≤ 51
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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Related Compounds

3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N,2-dimethylpropanamide
CID 15002765
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide (CID 15002774) is 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide is COc1ccc(-n2nc(-c3ncccc3C(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide?
The InChIKey is UWPULLSGRCVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-27(30)23(29)19-4-3-13-25-22(19)20-14-21(15-5-7-16(24)8-6-15)28(26-20)17-9-11-18(31-2)12-10-17/h3-14,30H,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide?
2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 15002774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).