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

C18H24N8O — CID 72904054

IUPAC[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C18H24N8O/c1-3-26-16(12-25-11-8-19-13(25)2)22-23-17(26)14-5-9-24(10-6-14)18(27)15-4-7-20-21-15/h4,7-8,11,14H,3,5-6,9-10,12H2,1-2H3,(H,20,21)
InChIKeySCFFMHFZWLPJGV-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.59
Rot. Bonds5

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

[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 72904054) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID72904054
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C18H24N8O/c1-3-26-16(12-25-11-8-19-13(25)2)22-23-17(26)14-5-9-24(10-6-14)18(27)15-4-7-20-21-15/h4,7-8,11,14H,3,5-6,9-10,12H2,1-2H3,(H,20,21)
InChIKeySCFFMHFZWLPJGV-UHFFFAOYSA-N
XLogP1.59
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 72904054) is [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is SCFFMHFZWLPJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-3-26-16(12-25-11-8-19-13(25)2)22-23-17(26)14-5-9-24(10-6-14)18(27)15-4-7-20-21-15/h4,7-8,11,14H,3,5-6,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 368.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 72904054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).