4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

C24H29N5O4 — CID 145464423

IUPAC4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2c(N)c(C3CCN(C(=O)N(C)O)CC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H29N5O4/c1-27(31)24(30)28-14-12-16(13-15-28)22-21(25)23(17-4-8-19(32-2)9-5-17)29(26-22)18-6-10-20(33-3)11-7-18/h4-11,16,31H,12-15,25H2,1-3H3
InChIKeyDXEBRGFSMQAENJ-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.76
Rot. Bonds5

About 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (PubChem CID 145464423) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
PubChem CID145464423
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2c(N)c(C3CCN(C(=O)N(C)O)CC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H29N5O4/c1-27(31)24(30)28-14-12-16(13-15-28)22-21(25)23(17-4-8-19(32-2)9-5-17)29(26-22)18-6-10-20(33-3)11-7-18/h4-11,16,31H,12-15,25H2,1-3H3
InChIKeyDXEBRGFSMQAENJ-UHFFFAOYSA-N
XLogP3.76
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
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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Related Compounds

3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 145464425
N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
CID 59486783
tert-butyl 4-[4-fluoro-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 145464557
benzyl 4-[4-(hydroxymethyl)-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 145464458
N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031755
N-hydroxy-4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59486572
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-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine
CID 145464422
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
4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486965

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (CID 145464423) is 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is COc1ccc(-c2c(N)c(C3CCN(C(=O)N(C)O)CC3)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The InChIKey is DXEBRGFSMQAENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-27(31)24(30)28-14-12-16(13-15-28)22-21(25)23(17-4-8-19(32-2)9-5-17)29(26-22)18-6-10-20(33-3)11-7-18/h4-11,16,31H,12-15,25H2,1-3H3.
What are the key properties of 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 145464423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).