(2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C16H24N6O — CID 53192786

IUPAC(2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCN(C(=O)c2ccnn2CC)C1
InChIInChI=1S/C16H24N6O/c1-3-9-21-12-17-19-15(21)13-6-5-10-20(11-13)16(23)14-7-8-18-22(14)4-2/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyISSKCAHEDIJASR-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.92
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192786) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192786
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCN(C(=O)c2ccnn2CC)C1
InChIInChI=1S/C16H24N6O/c1-3-9-21-12-17-19-15(21)13-6-5-10-20(11-13)16(23)14-7-8-18-22(14)4-2/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyISSKCAHEDIJASR-UHFFFAOYSA-N
XLogP1.92
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53568140
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53588821
(1-Cyclopentylpyrazol-3-yl)-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56686174
6-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-methyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 56912384
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 72136181
(1-Propan-2-ylpyrazol-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72136185
(2-Methylpyrimidin-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143539
1-[5-(1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}piperidin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 72844537
3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]piperidine
CID 72867903

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192786) is (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCCn1cnnc1C1CCCN(C(=O)c2ccnn2CC)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ISSKCAHEDIJASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-9-21-12-17-19-15(21)13-6-5-10-20(11-13)16(23)14-7-8-18-22(14)4-2/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).