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

C11H19N3O3 — CID 121368084

IUPACN-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1c(CNC(=O)C(C)(C)C)c(=O)[nH]n1C
InChIInChI=1S/C11H19N3O3/c1-11(2,3)10(16)12-6-7-8(15)13-14(4)9(7)17-5/h6H2,1-5H3,(H,12,16)(H,13,15)
InChIKeyYTCKJOMTCOBXFQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.38
Rot. Bonds3

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

N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 121368084) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
PubChem CID121368084
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1c(CNC(=O)C(C)(C)C)c(=O)[nH]n1C
InChIInChI=1S/C11H19N3O3/c1-11(2,3)10(16)12-6-7-8(15)13-14(4)9(7)17-5/h6H2,1-5H3,(H,12,16)(H,13,15)
InChIKeyYTCKJOMTCOBXFQ-UHFFFAOYSA-N
XLogP0.38
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide (CID 121368084) is N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide is COc1c(CNC(=O)C(C)(C)C)c(=O)[nH]n1C.
What is the InChIKey of N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is YTCKJOMTCOBXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)10(16)12-6-7-8(15)13-14(4)9(7)17-5/h6H2,1-5H3,(H,12,16)(H,13,15).
What are the key properties of N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 241.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121368084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).