1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C20H20FN3O — CID 134005041

IUPAC1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C20H20FN3O/c1-13(2)19-17(20(25)23-18-7-5-4-6-14(18)3)12-22-24(19)16-10-8-15(21)9-11-16/h4-13H,1-3H3,(H,23,25)
InChIKeyIGUBCKCILGXBRJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 134005041) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID134005041
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C20H20FN3O/c1-13(2)19-17(20(25)23-18-7-5-4-6-14(18)3)12-22-24(19)16-10-8-15(21)9-11-16/h4-13H,1-3H3,(H,23,25)
InChIKeyIGUBCKCILGXBRJ-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
N-(3-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119998270
N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31855056
1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55576681
1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31887523
N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 31905864
N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 126785728
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119457171

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 134005041) is 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is IGUBCKCILGXBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-13(2)19-17(20(25)23-18-7-5-4-6-14(18)3)12-22-24(19)16-10-8-15(21)9-11-16/h4-13H,1-3H3,(H,23,25).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 134005041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).