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

C18H28N6O2 — CID 56758565

IUPAC4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)CCn3cc(C)cn3)CC2)nn(C)c1=O
InChIInChI=1S/C18H28N6O2/c1-4-24-16(20-21(3)18(24)26)11-15-5-8-22(9-6-15)17(25)7-10-23-13-14(2)12-19-23/h12-13,15H,4-11H2,1-3H3
InChIKeyQTASLTDNRLRPNL-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.98
Rot. Bonds6

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

4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one (PubChem CID 56758565) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one
PubChem CID56758565
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)CCn3cc(C)cn3)CC2)nn(C)c1=O
InChIInChI=1S/C18H28N6O2/c1-4-24-16(20-21(3)18(24)26)11-15-5-8-22(9-6-15)17(25)7-10-23-13-14(2)12-19-23/h12-13,15H,4-11H2,1-3H3
InChIKeyQTASLTDNRLRPNL-UHFFFAOYSA-N
XLogP0.98
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]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

3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 71899632
4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]piperidine
CID 118770556
4-ethyl-5-(piperidin-4-ylmethyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50949274
5-{1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56701145
4-ethyl-2-methyl-5-(1-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]carbonyl}piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56741717
4-ethyl-2-methyl-5-({1-[2-(1H-pyrazol-1-yl)butanoyl]piperidin-4-yl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56753610
4-ethyl-5-({1-[2-methyl-3-(1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56866204
N,N-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 169253730
1-(2,2-dimethylpropanoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 32359586
(3R)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 32602074
(3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 32602078
N-methyl-3-(3-methylpiperidin-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 45930407

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one (CID 56758565) is 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one is CCn1c(CC2CCN(C(=O)CCn3cc(C)cn3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The InChIKey is QTASLTDNRLRPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-4-24-16(20-21(3)18(24)26)11-15-5-8-22(9-6-15)17(25)7-10-23-13-14(2)12-19-23/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one has a molecular weight of 360.46 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56758565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).