5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide

C10H16N4O — CID 103528129

IUPAC5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
SMILESCC(C)=CCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C10H16N4O/c1-7(2)4-5-12-10(15)8-6-13-14(3)9(8)11/h4,6H,5,11H2,1-3H3,(H,12,15)
InChIKeyGMEKUORVSPGYMM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.70
Rot. Bonds3

About 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide

5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide (PubChem CID 103528129) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
PubChem CID103528129
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
SMILESCC(C)=CCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C10H16N4O/c1-7(2)4-5-12-10(15)8-6-13-14(3)9(8)11/h4,6H,5,11H2,1-3H3,(H,12,15)
InChIKeyGMEKUORVSPGYMM-UHFFFAOYSA-N
XLogP0.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.70
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

5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
CID 104586972
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
CID 115330667
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
CID 102673557
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide (CID 103528129) is 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide is CC(C)=CCNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide?
The InChIKey is GMEKUORVSPGYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)4-5-12-10(15)8-6-13-14(3)9(8)11/h4,6H,5,11H2,1-3H3,(H,12,15).
What are the key properties of 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide is sourced from PubChem (CID 103528129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).