N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

C20H20FN3O — CID 118725454

IUPACN-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(F)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C20H20FN3O/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)
InChIKeyPJFGSQKDVQAESF-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.52
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 118725454) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID118725454
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(F)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C20H20FN3O/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)
InChIKeyPJFGSQKDVQAESF-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 118725454) is N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(F)ccc2C)cnn1-c1ccccc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is PJFGSQKDVQAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25).
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 118725454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).