N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide

C21H32N4O — CID 46204755

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cn(C)nc1-c1ccccn1
InChIInChI=1S/C21H32N4O/c1-3-4-5-6-7-8-9-10-11-15-20(26)23-19-17-25(2)24-21(19)18-14-12-13-16-22-18/h12-14,16-17H,3-11,15H2,1-2H3,(H,23,26)
InChIKeyJWPIPWPPAUEWLV-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.34
Rot. Bonds12

About N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide

N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide (PubChem CID 46204755) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide
PubChem CID46204755
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cn(C)nc1-c1ccccn1
InChIInChI=1S/C21H32N4O/c1-3-4-5-6-7-8-9-10-11-15-20(26)23-19-17-25(2)24-21(19)18-14-12-13-16-22-18/h12-14,16-17H,3-11,15H2,1-2H3,(H,23,26)
InChIKeyJWPIPWPPAUEWLV-UHFFFAOYSA-N
XLogP5.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.34
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

(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide
CID 46204756
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide
CID 177491389
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
N-(2-chlorophenyl)octanamide
CID 2292983
N-quinolin-8-ylundecanamide
CID 3567928
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(2-chlorophenyl)hexanamide
CID 4644560

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide (CID 46204755) is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide is CCCCCCCCCCCC(=O)Nc1cn(C)nc1-c1ccccn1.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide?
The InChIKey is JWPIPWPPAUEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-4-5-6-7-8-9-10-11-15-20(26)23-19-17-25(2)24-21(19)18-14-12-13-16-22-18/h12-14,16-17H,3-11,15H2,1-2H3,(H,23,26).
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide has a molecular weight of 356.51 g/mol, XLogP of 5.34, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide is sourced from PubChem (CID 46204755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).