(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone

C17H24N6O — CID 128892235

IUPAC(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C2CCCCC2)[nH]n1)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C17H24N6O/c24-17(16-11-15(19-20-16)13-5-2-1-3-6-13)22-9-4-7-14(12-22)23-10-8-18-21-23/h8,10-11,13-14H,1-7,9,12H2,(H,19,20)
InChIKeyLEBBZGKCDLGJIA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.53
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 128892235) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
PubChem CID128892235
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C2CCCCC2)[nH]n1)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C17H24N6O/c24-17(16-11-15(19-20-16)13-5-2-1-3-6-13)22-9-4-7-14(12-22)23-10-8-18-21-23/h8,10-11,13-14H,1-7,9,12H2,(H,19,20)
InChIKeyLEBBZGKCDLGJIA-UHFFFAOYSA-N
XLogP2.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone
CID 167762565
3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 154737493
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
CID 136565445
(5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone
CID 119033587
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
[5-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840400
N-cyclopentyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 110268886
2-(azepan-1-yl)-1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268942

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone (CID 128892235) is (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone is O=C(c1cc(C2CCCCC2)[nH]n1)N1CCCC(n2ccnn2)C1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is LEBBZGKCDLGJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c24-17(16-11-15(19-20-16)13-5-2-1-3-6-13)22-9-4-7-14(12-22)23-10-8-18-21-23/h8,10-11,13-14H,1-7,9,12H2,(H,19,20).
What are the key properties of (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 128892235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).