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

C12H21N3O2 — CID 121368080

IUPACN-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCCn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1C
InChIInChI=1S/C12H21N3O2/c1-6-15-8(2)9(10(16)14-15)7-13-11(17)12(3,4)5/h6-7H2,1-5H3,(H,13,17)(H,14,16)
InChIKeyQSFWAJQRYWJEBI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.17
Rot. Bonds3

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

N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 121368080) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
PubChem CID121368080
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCCn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1C
InChIInChI=1S/C12H21N3O2/c1-6-15-8(2)9(10(16)14-15)7-13-11(17)12(3,4)5/h6-7H2,1-5H3,(H,13,17)(H,14,16)
InChIKeyQSFWAJQRYWJEBI-UHFFFAOYSA-N
XLogP1.17
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide (CID 121368080) is N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide is CCn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1C.
What is the InChIKey of N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is QSFWAJQRYWJEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-15-8(2)9(10(16)14-15)7-13-11(17)12(3,4)5/h6-7H2,1-5H3,(H,13,17)(H,14,16).
What are the key properties of N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121368080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).