2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide

C10H15N3O — CID 61284125

IUPAC2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide
SMILESCCC=C(C)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H15N3O/c1-3-4-8(2)10(14)11-7-9-5-6-12-13-9/h4-6H,3,7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeySHAISSJDKXMSJA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.38
Rot. Bonds4

About 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide

2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide (PubChem CID 61284125) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide
PubChem CID61284125
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide
SMILESCCC=C(C)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H15N3O/c1-3-4-8(2)10(14)11-7-9-5-6-12-13-9/h4-6H,3,7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeySHAISSJDKXMSJA-UHFFFAOYSA-N
XLogP1.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 60975273
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811
2,2-diethyl-4-oxo-4-(1H-pyrazol-5-ylmethylamino)butanoic acid
CID 61285483

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide (CID 61284125) is 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide is CCC=C(C)C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide?
The InChIKey is SHAISSJDKXMSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-4-8(2)10(14)11-7-9-5-6-12-13-9/h4-6H,3,7H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide?
2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide is sourced from PubChem (CID 61284125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).