5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one

C17H28N6O — CID 56758245

IUPAC5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(Cc3c(C)n[nH]c3C)CC2)nn(C)c1=O
InChIInChI=1S/C17H28N6O/c1-5-23-16(20-21(4)17(23)24)10-14-6-8-22(9-7-14)11-15-12(2)18-19-13(15)3/h14H,5-11H2,1-4H3,(H,18,19)
InChIKeyLZEXRSJZWIDXQT-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.40
Rot. Bonds5

About 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one

5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 56758245) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
PubChem CID56758245
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(Cc3c(C)n[nH]c3C)CC2)nn(C)c1=O
InChIInChI=1S/C17H28N6O/c1-5-23-16(20-21(4)17(23)24)10-14-6-8-22(9-7-14)11-15-12(2)18-19-13(15)3/h14H,5-11H2,1-4H3,(H,18,19)
InChIKeyLZEXRSJZWIDXQT-UHFFFAOYSA-N
XLogP1.40
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 75443028
7-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922539
4-(cyclohexylmethyl)-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50969320
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50970237
1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 95211564
4-cyclohexyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56709831
5-[[1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56718998
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
N-cyclopentyl-N'-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)urea
CID 56752754
6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69482107
3-Methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxamide
CID 118491667
(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone
CID 118491689

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one (CID 56758245) is 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one is CCn1c(CC2CCN(Cc3c(C)n[nH]c3C)CC2)nn(C)c1=O.
What is the InChIKey of 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is LZEXRSJZWIDXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-5-23-16(20-21(4)17(23)24)10-14-6-8-22(9-7-14)11-15-12(2)18-19-13(15)3/h14H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56758245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).