2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide

C11H18N4O — CID 103006628

IUPAC2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCCc1ccnn1C
InChIInChI=1S/C11H18N4O/c1-3-4-10(12)11(16)13-7-5-9-6-8-14-15(9)2/h3,6,8,10H,1,4-5,7,12H2,2H3,(H,13,16)
InChIKeyYXJVVLVHQCMAIK-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.02
Rot. Bonds6

About 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide

2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide (PubChem CID 103006628) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
PubChem CID103006628
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCCc1ccnn1C
InChIInChI=1S/C11H18N4O/c1-3-4-10(12)11(16)13-7-5-9-6-8-14-15(9)2/h3,6,8,10H,1,4-5,7,12H2,2H3,(H,13,16)
InChIKeyYXJVVLVHQCMAIK-UHFFFAOYSA-N
XLogP-0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
CID 106416709
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103007035
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103006889
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide (CID 103006628) is 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide is C=CCC(N)C(=O)NCCc1ccnn1C.
What is the InChIKey of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide?
The InChIKey is YXJVVLVHQCMAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-4-10(12)11(16)13-7-5-9-6-8-14-15(9)2/h3,6,8,10H,1,4-5,7,12H2,2H3,(H,13,16).
What are the key properties of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide?
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide has a molecular weight of 222.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide is sourced from PubChem (CID 103006628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).