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

C20H32N6O — CID 46988108

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(n2cc(CC(C)C)nn2)CC1
InChIInChI=1S/C20H32N6O/c1-6-25-19(12-18(22-25)15(4)5)20(27)24-9-7-17(8-10-24)26-13-16(21-23-26)11-14(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyRAWASPJOECRSIS-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.29
Rot. Bonds6

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

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46988108) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID46988108
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(n2cc(CC(C)C)nn2)CC1
InChIInChI=1S/C20H32N6O/c1-6-25-19(12-18(22-25)15(4)5)20(27)24-9-7-17(8-10-24)26-13-16(21-23-26)11-14(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyRAWASPJOECRSIS-UHFFFAOYSA-N
XLogP3.29
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone (CID 46988108) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone is CCn1nc(C(C)C)cc1C(=O)N1CCC(n2cc(CC(C)C)nn2)CC1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is RAWASPJOECRSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-6-25-19(12-18(22-25)15(4)5)20(27)24-9-7-17(8-10-24)26-13-16(21-23-26)11-14(2)3/h12-15,17H,6-11H2,1-5H3.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 372.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46988108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).