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

C17H20N6OS — CID 126773802

IUPAC[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
SMILESCCc1nc(C2CCN(C(=O)c3cn[nH]c3-c3ccsc3)CC2)n[nH]1
InChIInChI=1S/C17H20N6OS/c1-2-14-19-16(22-20-14)11-3-6-23(7-4-11)17(24)13-9-18-21-15(13)12-5-8-25-10-12/h5,8-11H,2-4,6-7H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyNMNMXHRHASVOCX-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.84
Rot. Bonds4

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

[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone (PubChem CID 126773802) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
PubChem CID126773802
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
SMILESCCc1nc(C2CCN(C(=O)c3cn[nH]c3-c3ccsc3)CC2)n[nH]1
InChIInChI=1S/C17H20N6OS/c1-2-14-19-16(22-20-14)11-3-6-23(7-4-11)17(24)13-9-18-21-15(13)12-5-8-25-10-12/h5,8-11H,2-4,6-7H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyNMNMXHRHASVOCX-UHFFFAOYSA-N
XLogP2.84
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 126778716
1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126785121
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 136565975
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 126773665
2-[4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552207
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192432
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(6-fluoro-2,3-dimethoxyphenyl)methanone
CID 126778092
(4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 99795480
1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pent-4-en-1-one
CID 99833920
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
N-[(2R)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 99795481
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone
CID 138035163

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone (CID 126773802) is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone is CCc1nc(C2CCN(C(=O)c3cn[nH]c3-c3ccsc3)CC2)n[nH]1.
What is the InChIKey of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is NMNMXHRHASVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-2-14-19-16(22-20-14)11-3-6-23(7-4-11)17(24)13-9-18-21-15(13)12-5-8-25-10-12/h5,8-11H,2-4,6-7H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 356.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 126773802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).