N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide

C13H21N3O — CID 126840047

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide
SMILESCC(C)=C(C)CC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C13H21N3O/c1-9(2)10(3)6-13(17)14-7-12-8-15-16(5)11(12)4/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeyZWOAPSMSADOLER-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide (PubChem CID 126840047) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide
PubChem CID126840047
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide
SMILESCC(C)=C(C)CC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C13H21N3O/c1-9(2)10(3)6-13(17)14-7-12-8-15-16(5)11(12)4/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeyZWOAPSMSADOLER-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide (CID 126840047) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide is CC(C)=C(C)CC(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide?
The InChIKey is ZWOAPSMSADOLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)10(3)6-13(17)14-7-12-8-15-16(5)11(12)4/h8H,6-7H2,1-5H3,(H,14,17).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide has a molecular weight of 235.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dimethylpent-3-enamide is sourced from PubChem (CID 126840047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).