4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide

C9H14N4O — CID 131241275

IUPAC4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
SMILESC/C=C/CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H14N4O/c1-3-4-5-11-9(14)8-7(10)6-13(2)12-8/h3-4,6H,5,10H2,1-2H3,(H,11,14)/b4-3+
InChIKeyKLNFREXGBAUXFW-ONEGZZNKSA-N
MW194.24 g/mol
LogP0.31
Rot. Bonds3

About 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide

4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide (PubChem CID 131241275) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
PubChem CID131241275
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
SMILESC/C=C/CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H14N4O/c1-3-4-5-11-9(14)8-7(10)6-13(2)12-8/h3-4,6H,5,10H2,1-2H3,(H,11,14)/b4-3+
InChIKeyKLNFREXGBAUXFW-ONEGZZNKSA-N
XLogP0.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.31
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

4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 66169769
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide (CID 131241275) is 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide is C/C=C/CNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is KLNFREXGBAUXFW-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-4-5-11-9(14)8-7(10)6-13(2)12-8/h3-4,6H,5,10H2,1-2H3,(H,11,14)/b4-3+.
What are the key properties of 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 131241275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).