5-amino-4-octan-2-ylpyrazole-1-carboxamide

C12H22N4O — CID 167102492

IUPAC5-amino-4-octan-2-ylpyrazole-1-carboxamide
SMILESCCCCCCC(C)c1cnn(C(N)=O)c1N
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-7-9(2)10-8-15-16(11(10)13)12(14)17/h8-9H,3-7,13H2,1-2H3,(H2,14,17)
InChIKeyYSTXOFWOGADWMD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.47
Rot. Bonds6

About 5-amino-4-octan-2-ylpyrazole-1-carboxamide

5-amino-4-octan-2-ylpyrazole-1-carboxamide (PubChem CID 167102492) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-amino-4-octan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-4-octan-2-ylpyrazole-1-carboxamide
PubChem CID167102492
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-amino-4-octan-2-ylpyrazole-1-carboxamide
SMILESCCCCCCC(C)c1cnn(C(N)=O)c1N
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-7-9(2)10-8-15-16(11(10)13)12(14)17/h8-9H,3-7,13H2,1-2H3,(H2,14,17)
InChIKeyYSTXOFWOGADWMD-UHFFFAOYSA-N
XLogP2.47
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-carbamoyl-5-heptan-2-ylpyrimidine-4-carboxylic acid
CID 175557199
5-heptan-2-ylpyrimidine-2,4-diamine
CID 175944646
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
CID 65359456
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide
CID 130194957
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
sodium 2-dodecan-2-ylbenzenesulfonate
CID 23700934
2-(2-hydroxyethyl)tetradecanamide
CID 154187361
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-octan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 5-amino-4-octan-2-ylpyrazole-1-carboxamide (CID 167102492) is 5-amino-4-octan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-4-octan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 5-amino-4-octan-2-ylpyrazole-1-carboxamide is CCCCCCC(C)c1cnn(C(N)=O)c1N.
What is the InChIKey of 5-amino-4-octan-2-ylpyrazole-1-carboxamide?
The InChIKey is YSTXOFWOGADWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-6-7-9(2)10-8-15-16(11(10)13)12(14)17/h8-9H,3-7,13H2,1-2H3,(H2,14,17).
What are the key properties of 5-amino-4-octan-2-ylpyrazole-1-carboxamide?
5-amino-4-octan-2-ylpyrazole-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-octan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 167102492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).