3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one

C18H24N8O2 — CID 56713056

IUPAC3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)c3cc(-c4cnn(C)c4C)n[nH]3)CC2)n[nH]c1=O
InChIInChI=1S/C18H24N8O2/c1-4-26-16(22-23-18(26)28)12-5-7-25(8-6-12)17(27)15-9-14(20-21-15)13-10-19-24(3)11(13)2/h9-10,12H,4-8H2,1-3H3,(H,20,21)(H,23,28)
InChIKeyLLVNDDIQPVTTJC-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.04
Rot. Bonds4

About 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one

3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 56713056) has the molecular formula C18H24N8O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID56713056
Molecular FormulaC18H24N8O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)c3cc(-c4cnn(C)c4C)n[nH]3)CC2)n[nH]c1=O
InChIInChI=1S/C18H24N8O2/c1-4-26-16(22-23-18(26)28)12-5-7-25(8-6-12)17(27)15-9-14(20-21-15)13-10-19-24(3)11(13)2/h9-10,12H,4-8H2,1-3H3,(H,20,21)(H,23,28)
InChIKeyLLVNDDIQPVTTJC-UHFFFAOYSA-N
XLogP1.04
TPSA117.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3S)-1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95205468
5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001743
3-[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]-4-benzyl-1H-1,2,4-triazol-5-one
CID 56703305
4-ethyl-3-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50971877
3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one
CID 167769575
3-[1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56712868
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74240394
3-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one;hydrochloride
CID 154892223
ethyl 5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 50971103
4-ethyl-3-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56717870
4-cyclopentyl-5-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121115004
3-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 136518795

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one (CID 56713056) is 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one is CCn1c(C2CCN(C(=O)c3cc(-c4cnn(C)c4C)n[nH]3)CC2)n[nH]c1=O.
What is the InChIKey of 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is LLVNDDIQPVTTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2/c1-4-26-16(22-23-18(26)28)12-5-7-25(8-6-12)17(27)15-9-14(20-21-15)13-10-19-24(3)11(13)2/h9-10,12H,4-8H2,1-3H3,(H,20,21)(H,23,28).
What are the key properties of 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one?
3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 384.44 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56713056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).