N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide

C15H17F2N3O — CID 30288354

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C15H17F2N3O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-5-4-12(16)9-14(13)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)
InChIKeyCQUDUBKURWLLJO-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.60
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide (PubChem CID 30288354) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
PubChem CID30288354
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C15H17F2N3O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-5-4-12(16)9-14(13)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)
InChIKeyCQUDUBKURWLLJO-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-nitrobenzamide
CID 87021338
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 18275614
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
N-[(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78804287
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
2-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119179433
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide (CID 30288354) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide is Cc1cc(C)n(CCCNC(=O)c2ccc(F)cc2F)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide?
The InChIKey is CQUDUBKURWLLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-5-4-12(16)9-14(13)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide has a molecular weight of 293.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide is sourced from PubChem (CID 30288354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).