N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide

C12H19N3O2 — CID 178086179

IUPACN-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(C)c1)C(C)(C)CC=O
InChIInChI=1S/C12H19N3O2/c1-5-15(12(2,3)6-7-16)11(17)10-8-13-14(4)9-10/h7-9H,5-6H2,1-4H3
InChIKeyVHAUYGOCJCCAPA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.25
Rot. Bonds5

About N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide

N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide (PubChem CID 178086179) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide
PubChem CID178086179
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(C)c1)C(C)(C)CC=O
InChIInChI=1S/C12H19N3O2/c1-5-15(12(2,3)6-7-16)11(17)10-8-13-14(4)9-10/h7-9H,5-6H2,1-4H3
InChIKeyVHAUYGOCJCCAPA-UHFFFAOYSA-N
XLogP1.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide (CID 178086179) is N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide is CCN(C(=O)c1cnn(C)c1)C(C)(C)CC=O.
What is the InChIKey of N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide?
The InChIKey is VHAUYGOCJCCAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-15(12(2,3)6-7-16)11(17)10-8-13-14(4)9-10/h7-9H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide?
N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 178086179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).