1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide

C10H15N3O — CID 115628402

IUPAC1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
SMILESC/C=C/CCNC(=O)c1cnn(C)c1
InChIInChI=1S/C10H15N3O/c1-3-4-5-6-11-10(14)9-7-12-13(2)8-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,14)/b4-3+
InChIKeyHBTGFIBGYLPZTN-ONEGZZNKSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds4

About 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide

1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide (PubChem CID 115628402) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
PubChem CID115628402
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
SMILESC/C=C/CCNC(=O)c1cnn(C)c1
InChIInChI=1S/C10H15N3O/c1-3-4-5-6-11-10(14)9-7-12-13(2)8-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,14)/b4-3+
InChIKeyHBTGFIBGYLPZTN-ONEGZZNKSA-N
XLogP1.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
(E)-3-(1-methylpyrazol-4-yl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115628045
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
CID 115700182
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
5-fluoro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115694724
N-(5-bromo-4-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 106157531
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19323686

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide (CID 115628402) is 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide is C/C=C/CCNC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide?
The InChIKey is HBTGFIBGYLPZTN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-4-5-6-11-10(14)9-7-12-13(2)8-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,14)/b4-3+.
What are the key properties of 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide?
1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide is sourced from PubChem (CID 115628402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).