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

C22H28N6O — CID 24816841

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCCn1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c(C)n1
InChIInChI=1S/C22H28N6O/c1-3-27-16-19(17(2)25-27)15-26-11-5-7-18(14-26)22(29)24-20-8-4-9-21(13-20)28-12-6-10-23-28/h4,6,8-10,12-13,16,18H,3,5,7,11,14-15H2,1-2H3,(H,24,29)
InChIKeyFDFGDNFQNHYTJE-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.25
Rot. Bonds6

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

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24816841) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24816841
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCCn1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c(C)n1
InChIInChI=1S/C22H28N6O/c1-3-27-16-19(17(2)25-27)15-26-11-5-7-18(14-26)22(29)24-20-8-4-9-21(13-20)28-12-6-10-23-28/h4,6,8-10,12-13,16,18H,3,5,7,11,14-15H2,1-2H3,(H,24,29)
InChIKeyFDFGDNFQNHYTJE-UHFFFAOYSA-N
XLogP3.25
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24816841) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is CCn1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is FDFGDNFQNHYTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-27-16-19(17(2)25-27)15-26-11-5-7-18(14-26)22(29)24-20-8-4-9-21(13-20)28-12-6-10-23-28/h4,6,8-10,12-13,16,18H,3,5,7,11,14-15H2,1-2H3,(H,24,29).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24816841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).