3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C23H18FN3O2 — CID 1355703

IUPAC3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28)
InChIKeyGURGWXSCCDCWIL-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.94
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1355703) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1355703
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28)
InChIKeyGURGWXSCCDCWIL-UHFFFAOYSA-N
XLogP4.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 850331
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1355703) is 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GURGWXSCCDCWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1355703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).