4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C19H30N6O2 — CID 56747702

IUPAC4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(c2nn(C)c(=O)n2CC)CC1
InChIInChI=1S/C19H30N6O2/c1-6-24-17(21-22(5)19(24)27)14-8-10-23(11-9-14)18(26)16-12-15(13(3)4)20-25(16)7-2/h12-14H,6-11H2,1-5H3
InChIKeyQGRLFIWFNFNPQM-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.96
Rot. Bonds5

About 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 56747702) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID56747702
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(c2nn(C)c(=O)n2CC)CC1
InChIInChI=1S/C19H30N6O2/c1-6-24-17(21-22(5)19(24)27)14-8-10-23(11-9-14)18(26)16-12-15(13(3)4)20-25(16)7-2/h12-14H,6-11H2,1-5H3
InChIKeyQGRLFIWFNFNPQM-UHFFFAOYSA-N
XLogP1.96
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 56747702) is 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is CCn1nc(C(C)C)cc1C(=O)N1CCC(c2nn(C)c(=O)n2CC)CC1.
What is the InChIKey of 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is QGRLFIWFNFNPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-6-24-17(21-22(5)19(24)27)14-8-10-23(11-9-14)18(26)16-12-15(13(3)4)20-25(16)7-2/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 374.49 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56747702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).