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

C19H30N6O2 — CID 56756905

IUPAC4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)nn(C)c1=O
InChIInChI=1S/C19H30N6O2/c1-6-25-17(21-23(5)19(25)27)14-8-7-9-24(12-14)18(26)16-11-15(10-13(2)3)20-22(16)4/h11,13-14H,6-10,12H2,1-5H3
InChIKeyYPSUNXNPPAJZKS-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.55
Rot. Bonds5

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

4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one (PubChem CID 56756905) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one
PubChem CID56756905
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)nn(C)c1=O
InChIInChI=1S/C19H30N6O2/c1-6-25-17(21-23(5)19(25)27)14-8-7-9-24(12-14)18(26)16-11-15(10-13(2)3)20-22(16)4/h11,13-14H,6-10,12H2,1-5H3
InChIKeyYPSUNXNPPAJZKS-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one (CID 56756905) is 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one is CCn1c(C2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one?
The InChIKey is YPSUNXNPPAJZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-6-25-17(21-23(5)19(25)27)14-8-7-9-24(12-14)18(26)16-11-15(10-13(2)3)20-22(16)4/h11,13-14H,6-10,12H2,1-5H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one has a molecular weight of 374.49 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56756905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).