1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C20H24N6O — CID 24817129

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1
InChIInChI=1S/C20H24N6O/c1-24-13-16(12-22-24)14-25-9-3-5-17(15-25)20(27)23-18-6-2-7-19(11-18)26-10-4-8-21-26/h2,4,6-8,10-13,17H,3,5,9,14-15H2,1H3,(H,23,27)
InChIKeyVCSDZDCWRBAFOO-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.46
Rot. Bonds5

About 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24817129) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24817129
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1
InChIInChI=1S/C20H24N6O/c1-24-13-16(12-22-24)14-25-9-3-5-17(15-25)20(27)23-18-6-2-7-19(11-18)26-10-4-8-21-26/h2,4,6-8,10-13,17H,3,5,9,14-15H2,1H3,(H,23,27)
InChIKeyVCSDZDCWRBAFOO-UHFFFAOYSA-N
XLogP2.46
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24817129) is 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is Cn1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is VCSDZDCWRBAFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-24-13-16(12-22-24)14-25-9-3-5-17(15-25)20(27)23-18-6-2-7-19(11-18)26-10-4-8-21-26/h2,4,6-8,10-13,17H,3,5,9,14-15H2,1H3,(H,23,27).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24817129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).