N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide

C11H15N3O — CID 123277902

IUPACN-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide
SMILESC=C(C=CC)Cn1ccc(NC(C)=O)n1
InChIInChI=1S/C11H15N3O/c1-4-5-9(2)8-14-7-6-11(13-14)12-10(3)15/h4-7H,2,8H2,1,3H3,(H,12,13,15)
InChIKeyWBEIPDFTJFVPBF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide

N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide (PubChem CID 123277902) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide
PubChem CID123277902
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide
SMILESC=C(C=CC)Cn1ccc(NC(C)=O)n1
InChIInChI=1S/C11H15N3O/c1-4-5-9(2)8-14-7-6-11(13-14)12-10(3)15/h4-7H,2,8H2,1,3H3,(H,12,13,15)
InChIKeyWBEIPDFTJFVPBF-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-1H-pyrazol-3-yl)acetamide
CID 68075151
N-(1-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 30345727
2,4-dimethyl-2H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135428373
N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 18152717
N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 35426064
2-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 52381063
N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 74232495
2,2,2-Trifluoro-N-(1-methyl-3-pyrazolyl)acetamide
CID 19405082
N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
CID 89187445
N-[1-(difluoromethyl)pyrazol-3-yl]propanamide
CID 140163494
N-[1-(2-fluoroethyl)pyrazol-3-yl]propanamide
CID 140163495
N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propanamide
CID 140163502

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide (CID 123277902) is N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide is C=C(C=CC)Cn1ccc(NC(C)=O)n1.
What is the InChIKey of N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide?
The InChIKey is WBEIPDFTJFVPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-5-9(2)8-14-7-6-11(13-14)12-10(3)15/h4-7H,2,8H2,1,3H3,(H,12,13,15).
What are the key properties of N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide?
N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 123277902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).