N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide

C23H35N3O2 — CID 4117225

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H35N3O2/c1-4-5-6-7-8-9-10-11-15-18-21(27)24-22-19(2)25(3)26(23(22)28)20-16-13-12-14-17-20/h12-14,16-17H,4-11,15,18H2,1-3H3,(H,24,27)
InChIKeySUDPYGCLNHFYFV-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.34
Rot. Bonds12

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide (PubChem CID 4117225) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
PubChem CID4117225
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H35N3O2/c1-4-5-6-7-8-9-10-11-15-18-21(27)24-22-19(2)25(3)26(23(22)28)20-16-13-12-14-17-20/h12-14,16-17H,4-11,15,18H2,1-3H3,(H,24,27)
InChIKeySUDPYGCLNHFYFV-UHFFFAOYSA-N
XLogP5.34
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
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

7-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)heptanamide;hydrochloride
CID 119669086
4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
CID 119261471
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexanamide
CID 98148996
1,5-dimethyl-4-(octylamino)-2-phenylpyrazol-3-one
CID 110823818
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
4-(4-tert-butylphenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 8701720
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843813
N-[(1R)-2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]pentanamide
CID 92643867
2-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hexanamide
CID 110839502
3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 16574621
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-phenylpropylsulfanyl)propanamide
CID 46575255

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide (CID 4117225) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide is CCCCCCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide?
The InChIKey is SUDPYGCLNHFYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-4-5-6-7-8-9-10-11-15-18-21(27)24-22-19(2)25(3)26(23(22)28)20-16-13-12-14-17-20/h12-14,16-17H,4-11,15,18H2,1-3H3,(H,24,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide has a molecular weight of 385.55 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-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide is sourced from PubChem (CID 4117225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).