4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C19H30N6O2 — CID 56720619

IUPAC4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCc1c(C)nn(CC(=O)N2CCC(c3nn(C)c(=O)n3CC)CC2)c1C
InChIInChI=1S/C19H30N6O2/c1-6-16-13(3)20-25(14(16)4)12-17(26)23-10-8-15(9-11-23)18-21-22(5)19(27)24(18)7-2/h15H,6-12H2,1-5H3
InChIKeyWQXWZAOODOTPJF-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.38
Rot. Bonds5

About 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 56720619) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID56720619
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCc1c(C)nn(CC(=O)N2CCC(c3nn(C)c(=O)n3CC)CC2)c1C
InChIInChI=1S/C19H30N6O2/c1-6-16-13(3)20-25(14(16)4)12-17(26)23-10-8-15(9-11-23)18-21-22(5)19(27)24(18)7-2/h15H,6-12H2,1-5H3
InChIKeyWQXWZAOODOTPJF-UHFFFAOYSA-N
XLogP1.38
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063
2-[7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl]-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylacetamide
CID 91910896
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
CID 91910900
4-[1-[2-(3,5-Dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2,5-dimethyl-1,2,4-triazol-3-one
CID 124049332
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 132305047
N-cyclopropyl-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 25381684
4-ethyl-2-methyl-5-{1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56704334
4-ethyl-5-{1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56704583
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-ethyl-5-oxo-3-(3-piperidinyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide hydrochloride
CID 56712188
4-ethyl-5-({1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56739951
4-ethyl-5-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56743383
11-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56758383

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 56720619) is 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is CCc1c(C)nn(CC(=O)N2CCC(c3nn(C)c(=O)n3CC)CC2)c1C.
What is the InChIKey of 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is WQXWZAOODOTPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-6-16-13(3)20-25(14(16)4)12-17(26)23-10-8-15(9-11-23)18-21-22(5)19(27)24(18)7-2/h15H,6-12H2,1-5H3.
What are the key properties of 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 374.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56720619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).