ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide

C11H21N3O2 — CID 144778771

IUPACethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
SMILESCC.CCc1c(CNC(C)=O)c(=O)[nH]n1C
InChIInChI=1S/C9H15N3O2.C2H6/c1-4-8-7(5-10-6(2)13)9(14)11-12(8)3;1-2/h4-5H2,1-3H3,(H,10,13)(H,11,14);1-2H3
InChIKeyWZXIBCWYQVAFKY-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.94
Rot. Bonds3

About ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide

ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 144778771) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID144778771
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nameethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
SMILESCC.CCc1c(CNC(C)=O)c(=O)[nH]n1C
InChIInChI=1S/C9H15N3O2.C2H6/c1-4-8-7(5-10-6(2)13)9(14)11-12(8)3;1-2/h4-5H2,1-3H3,(H,10,13)(H,11,14);1-2H3
InChIKeyWZXIBCWYQVAFKY-UHFFFAOYSA-N
XLogP0.94
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
CID 121371043
ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide
CID 144778765
ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide
CID 144778788
N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
CID 121368071
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide
CID 121371026
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
4-[(3,3-dimethylbut-1-en-2-ylamino)methyl]-3-methoxy-2-methyl-1H-pyrazol-5-one
CID 129034007
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
CID 144654853

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide (CID 144778771) is ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide is CC.CCc1c(CNC(C)=O)c(=O)[nH]n1C.
What is the InChIKey of ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is WZXIBCWYQVAFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.C2H6/c1-4-8-7(5-10-6(2)13)9(14)11-12(8)3;1-2/h4-5H2,1-3H3,(H,10,13)(H,11,14);1-2H3.
What are the key properties of ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 227.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 144778771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).