N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide

C12H19N3O — CID 71782924

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCn1nc(C)cc1C
InChIInChI=1S/C12H19N3O/c1-4-5-6-12(16)13-7-8-15-11(3)9-10(2)14-15/h4,9H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyIHGCYHXZLAXDDI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide (PubChem CID 71782924) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
PubChem CID71782924
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCn1nc(C)cc1C
InChIInChI=1S/C12H19N3O/c1-4-5-6-12(16)13-7-8-15-11(3)9-10(2)14-15/h4,9H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyIHGCYHXZLAXDDI-UHFFFAOYSA-N
XLogP1.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110716692
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide (CID 71782924) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide is C=CCCC(=O)NCCn1nc(C)cc1C.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide?
The InChIKey is IHGCYHXZLAXDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-5-6-12(16)13-7-8-15-11(3)9-10(2)14-15/h4,9H,1,5-8H2,2-3H3,(H,13,16).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide has a molecular weight of 221.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide is sourced from PubChem (CID 71782924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).