[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone

C20H32N6O2 — CID 46999536

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1
InChIInChI=1S/C20H32N6O2/c1-6-25-17(12-15(22-25)11-14(2)3)19(27)24-9-7-16(8-10-24)26-13-18(21-23-26)20(4,5)28/h12-14,16,28H,6-11H2,1-5H3
InChIKeyFGTFVGBFMUEHQF-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.40
Rot. Bonds6

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46999536) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID46999536
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1
InChIInChI=1S/C20H32N6O2/c1-6-25-17(12-15(22-25)11-14(2)3)19(27)24-9-7-16(8-10-24)26-13-18(21-23-26)20(4,5)28/h12-14,16,28H,6-11H2,1-5H3
InChIKeyFGTFVGBFMUEHQF-UHFFFAOYSA-N
XLogP2.40
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 46999536) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is FGTFVGBFMUEHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-6-25-17(12-15(22-25)11-14(2)3)19(27)24-9-7-16(8-10-24)26-13-18(21-23-26)20(4,5)28/h12-14,16,28H,6-11H2,1-5H3.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 388.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46999536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).