5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide

C18H26N4O — CID 108793376

IUPAC5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCCCCCCCNC(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C18H26N4O/c1-3-4-5-6-7-9-13-20-18(23)16-14-21-22(15(16)2)17-11-8-10-12-19-17/h8,10-12,14H,3-7,9,13H2,1-2H3,(H,20,23)
InChIKeyULRWKKYOEYMSMP-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.67
Rot. Bonds9

About 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 108793376) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID108793376
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCCCCCCCNC(=O)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C18H26N4O/c1-3-4-5-6-7-9-13-20-18(23)16-14-21-22(15(16)2)17-11-8-10-12-19-17/h8,10-12,14H,3-7,9,13H2,1-2H3,(H,20,23)
InChIKeyULRWKKYOEYMSMP-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111662368
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
5-methyl-N-pentyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71873695
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 108793376) is 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCCCCCCCNC(=O)c1cnn(-c2ccccn2)c1C.
What is the InChIKey of 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is ULRWKKYOEYMSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-4-5-6-7-9-13-20-18(23)16-14-21-22(15(16)2)17-11-8-10-12-19-17/h8,10-12,14H,3-7,9,13H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108793376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).