[1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H23N7O — CID 70725503

IUPAC[1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2cn(CCN)nn2)CC1
InChIInChI=1S/C15H23N7O/c1-2-11-9-17-19-14(11)12-3-6-21(7-4-12)15(23)13-10-22(8-5-16)20-18-13/h9-10,12H,2-8,16H2,1H3,(H,17,19)
InChIKeyJDUVTBGEMHNWFJ-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.54
Rot. Bonds5

About [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

[1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 70725503) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID70725503
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name[1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2cn(CCN)nn2)CC1
InChIInChI=1S/C15H23N7O/c1-2-11-9-17-19-14(11)12-3-6-21(7-4-12)15(23)13-10-22(8-5-16)20-18-13/h9-10,12H,2-8,16H2,1H3,(H,17,19)
InChIKeyJDUVTBGEMHNWFJ-UHFFFAOYSA-N
XLogP0.54
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-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

Related Compounds

[1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56739717
[1-(2-aminoethyl)triazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495450
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601
ethyl 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 56742395
[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 56755933
[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 42164676
[1-(2-aminoethyl)triazol-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone;hydrochloride
CID 154897518
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,3,6-trifluorophenyl)ethanone
CID 26358743
2-[1-[1-(2-aminoethyl)triazole-4-carbonyl]azetidin-3-yl]propanoic acid
CID 116682183
1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide
CID 103195300
(1R,5S,6R,7S)-3-(2-aminoethyl)-6-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 56752338
(2,5-dimethoxyphenyl)-[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methanone
CID 26363433

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 70725503) is [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1cn[nH]c1C1CCN(C(=O)c2cn(CCN)nn2)CC1.
What is the InChIKey of [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JDUVTBGEMHNWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-2-11-9-17-19-14(11)12-3-6-21(7-4-12)15(23)13-10-22(8-5-16)20-18-13/h9-10,12H,2-8,16H2,1H3,(H,17,19).
What are the key properties of [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 317.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70725503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).