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

C9H15N3O2 — CID 121371025

IUPACN-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
SMILESCCc1c(CNC(C)=O)c(=O)[nH]n1C
InChIInChI=1S/C9H15N3O2/c1-4-8-7(5-10-6(2)13)9(14)11-12(8)3/h4-5H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyPUCZEBSDMDNDKL-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.09
Rot. Bonds3

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

N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 121371025) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID121371025
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
SMILESCCc1c(CNC(C)=O)c(=O)[nH]n1C
InChIInChI=1S/C9H15N3O2/c1-4-8-7(5-10-6(2)13)9(14)11-12(8)3/h4-5H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyPUCZEBSDMDNDKL-UHFFFAOYSA-N
XLogP-0.09
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide (CID 121371025) is N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide is CCc1c(CNC(C)=O)c(=O)[nH]n1C.
What is the InChIKey of N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is PUCZEBSDMDNDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-8-7(5-10-6(2)13)9(14)11-12(8)3/h4-5H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 197.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 121371025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).