[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

C16H22N6O — CID 53192210

IUPAC[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C16H22N6O/c1-2-22-13(7-8-17-22)16(23)21-9-3-4-12(10-21)15-18-14(19-20-15)11-5-6-11/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19,20)
InChIKeyCAUFPLLTLQIVBA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.92
Rot. Bonds4

About [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 53192210) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID53192210
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C16H22N6O/c1-2-22-13(7-8-17-22)16(23)21-9-3-4-12(10-21)15-18-14(19-20-15)11-5-6-11/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19,20)
InChIKeyCAUFPLLTLQIVBA-UHFFFAOYSA-N
XLogP1.92
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779749
[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
1H-pyrazol-5-yl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72145740
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
4-(1-isopropyl-1H-imidazol-2-yl)-1-(1H-pyrazol-3-ylcarbonyl)piperidine
CID 72873376
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110272191
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 118740247
(2-Methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196493
N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134788474
1-Methyl-N-{1-[6-(pyrrolidin-1-YL)pyrimidin-4-YL]piperidin-3-YL}-1H-pyrazole-5-carboxamide
CID 53185803

Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 53192210) is [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is CAUFPLLTLQIVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-22-13(7-8-17-22)16(23)21-9-3-4-12(10-21)15-18-14(19-20-15)11-5-6-11/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19,20).
What are the key properties of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 53192210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).