N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

C21H22FN3O — CID 3928808

IUPACN-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2F)nn1-c1cccc(C)c1
InChIInChI=1S/C21H22FN3O/c1-3-4-12-23-21(26)20-14-19(17-10-5-6-11-18(17)22)24-25(20)16-9-7-8-15(2)13-16/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,26)
InChIKeyIFHUKJRMFQETHP-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.52
Rot. Bonds6

About N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 3928808) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID3928808
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2F)nn1-c1cccc(C)c1
InChIInChI=1S/C21H22FN3O/c1-3-4-12-23-21(26)20-14-19(17-10-5-6-11-18(17)22)24-25(20)16-9-7-8-15(2)13-16/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,26)
InChIKeyIFHUKJRMFQETHP-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.52
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

3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
N-butyl-3-(2-fluorophenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3372471
N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42662540
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42759128
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
N-butyl-3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3911082

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 3928808) is N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is CCCCNC(=O)c1cc(-c2ccccc2F)nn1-c1cccc(C)c1.
What is the InChIKey of N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is IFHUKJRMFQETHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-3-4-12-23-21(26)20-14-19(17-10-5-6-11-18(17)22)24-25(20)16-9-7-8-15(2)13-16/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,26).
What are the key properties of N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3928808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).