5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide

C22H26N6O2 — CID 110083029

IUPAC5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCn1ccc(C(=O)N2CCCC(c3[nH]ncc3C(=O)N(C)c3ccccc3)C2)n1
InChIInChI=1S/C22H26N6O2/c1-3-28-13-11-19(25-28)22(30)27-12-7-8-16(15-27)20-18(14-23-24-20)21(29)26(2)17-9-5-4-6-10-17/h4-6,9-11,13-14,16H,3,7-8,12,15H2,1-2H3,(H,23,24)
InChIKeyLCQGTJZSQQJNKB-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.92
Rot. Bonds5

About 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide

5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 110083029) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID110083029
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCn1ccc(C(=O)N2CCCC(c3[nH]ncc3C(=O)N(C)c3ccccc3)C2)n1
InChIInChI=1S/C22H26N6O2/c1-3-28-13-11-19(25-28)22(30)27-12-7-8-16(15-27)20-18(14-23-24-20)21(29)26(2)17-9-5-4-6-10-17/h4-6,9-11,13-14,16H,3,7-8,12,15H2,1-2H3,(H,23,24)
InChIKeyLCQGTJZSQQJNKB-UHFFFAOYSA-N
XLogP2.92
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
N,N-dimethyl-5-[(3S)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124953653
N-benzyl-N-methyl-5-[(3S)-1-[2-(methylamino)pyridine-4-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 125007348
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110084456
5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591072
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 110083029) is 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide is CCn1ccc(C(=O)N2CCCC(c3[nH]ncc3C(=O)N(C)c3ccccc3)C2)n1.
What is the InChIKey of 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is LCQGTJZSQQJNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-3-28-13-11-19(25-28)22(30)27-12-7-8-16(15-27)20-18(14-23-24-20)21(29)26(2)17-9-5-4-6-10-17/h4-6,9-11,13-14,16H,3,7-8,12,15H2,1-2H3,(H,23,24).
What are the key properties of 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide?
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110083029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).