2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one

C13H20N4O2 — CID 154665018

IUPAC2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
SMILESCCn1[nH]c(C)c(Cc2c(C)[nH]n(CC)c2=O)c1=O
InChIInChI=1S/C13H20N4O2/c1-5-16-12(18)10(8(3)14-16)7-11-9(4)15-17(6-2)13(11)19/h14-15H,5-7H2,1-4H3
InChIKeyGONJHMFZIAXBGE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.91
Rot. Bonds4

About 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one

2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 154665018) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
PubChem CID154665018
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
SMILESCCn1[nH]c(C)c(Cc2c(C)[nH]n(CC)c2=O)c1=O
InChIInChI=1S/C13H20N4O2/c1-5-16-12(18)10(8(3)14-16)7-11-9(4)15-17(6-2)13(11)19/h14-15H,5-7H2,1-4H3
InChIKeyGONJHMFZIAXBGE-UHFFFAOYSA-N
XLogP0.91
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one with MolForge

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Related Compounds

2-methyl-4-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 177210826
4-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-ol
CID 4912909
2-hexyl-4-[(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
CID 15358350
2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one
CID 66020264
4-ethyl-5-methyl-2-(2-methylpropyl)-1H-pyrazol-3-one
CID 66020655
4-ethyl-5-methyl-2-propan-2-yl-1H-pyrazol-3-one
CID 66021283
2,4-diethyl-5-methyl-1H-pyrazol-3-one
CID 66022115
4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one
CID 66022936
2-butyl-4-ethyl-5-methyl-1H-pyrazol-3-one
CID 66023146
2-ethyl-5-methyl-4-propyl-1H-pyrazol-3-one
CID 70463998
5-methyl-2,4-dipentyl-1H-pyrazol-3-one
CID 70541585
2,5-Dimethyl-4-propyl-1H-pyrazol-3(2H)-one
CID 76850964

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one (CID 154665018) is 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one is CCn1[nH]c(C)c(Cc2c(C)[nH]n(CC)c2=O)c1=O.
What is the InChIKey of 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is GONJHMFZIAXBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-5-16-12(18)10(8(3)14-16)7-11-9(4)15-17(6-2)13(11)19/h14-15H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one?
2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 264.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 154665018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).