N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide

C23H26N4O2 — CID 90595800

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2)CC1
InChIInChI=1S/C23H26N4O2/c1-26-22(16-21(25-26)17-6-4-3-5-7-17)23(28)24-18-8-10-19(11-9-18)27-14-12-20(29-2)13-15-27/h3-11,16,20H,12-15H2,1-2H3,(H,24,28)
InChIKeyHDMZJBAPVQZAJB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.95
Rot. Bonds5

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 90595800) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID90595800
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2)CC1
InChIInChI=1S/C23H26N4O2/c1-26-22(16-21(25-26)17-6-4-3-5-7-17)23(28)24-18-8-10-19(11-9-18)27-14-12-20(29-2)13-15-27/h3-11,16,20H,12-15H2,1-2H3,(H,24,28)
InChIKeyHDMZJBAPVQZAJB-UHFFFAOYSA-N
XLogP3.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 71809697
3-(3-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 90595519
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90595803
3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 121141491
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90595310
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide
CID 66738117
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641
N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 90595706

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide (CID 90595800) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide is COC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is HDMZJBAPVQZAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26-22(16-21(25-26)17-6-4-3-5-7-17)23(28)24-18-8-10-19(11-9-18)27-14-12-20(29-2)13-15-27/h3-11,16,20H,12-15H2,1-2H3,(H,24,28).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 90595800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).