3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid

C25H28N4O5 — CID 145464425

IUPAC3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)c(C(=O)O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N4O5/c1-16-4-6-18(7-5-16)23-21(24(30)31)22(17-12-14-28(15-13-17)25(32)27(2)33)26-29(23)19-8-10-20(34-3)11-9-19/h4-11,17,33H,12-15H2,1-3H3,(H,30,31)
InChIKeyMLGJXSLKOHGOMO-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.17
Rot. Bonds5

About 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid

3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 145464425) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID145464425
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)c(C(=O)O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N4O5/c1-16-4-6-18(7-5-16)23-21(24(30)31)22(17-12-14-28(15-13-17)25(32)27(2)33)26-29(23)19-8-10-20(34-3)11-9-19/h4-11,17,33H,12-15H2,1-3H3,(H,30,31)
InChIKeyMLGJXSLKOHGOMO-UHFFFAOYSA-N
XLogP4.17
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.17
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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Related Compounds

4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 145464423
N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
CID 59486783
N-hydroxy-4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59486572
benzyl 4-[4-(hydroxymethyl)-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 145464458
tert-butyl 4-[4-fluoro-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 145464557
N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031755
4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine
CID 145464422
4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486852
4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 24995637
4-(1,5-diphenylpyrazol-3-yl)-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486701
N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 59486528
N-ethyl-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]-N-hydroxypiperidine-1-carboxamide
CID 59486697

Frequently Asked Questions

What is the IUPAC name of 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid (CID 145464425) is 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid is COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)c(C(=O)O)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is MLGJXSLKOHGOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-16-4-6-18(7-5-16)23-21(24(30)31)22(17-12-14-28(15-13-17)25(32)27(2)33)26-29(23)19-8-10-20(34-3)11-9-19/h4-11,17,33H,12-15H2,1-3H3,(H,30,31).
What are the key properties of 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid?
3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 464.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 145464425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).