3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide

C22H23F2N3O2 — CID 16925740

IUPAC3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1
InChIInChI=1S/C22H23F2N3O2/c1-15(2)11-25-21(28)20-13-27(12-16-3-7-18(23)8-4-16)26-22(20)29-14-17-5-9-19(24)10-6-17/h3-10,13,15H,11-12,14H2,1-2H3,(H,25,28)
InChIKeyVQBOLTFZNUNKQO-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.17
Rot. Bonds8

About 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide

3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 16925740) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID16925740
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1
InChIInChI=1S/C22H23F2N3O2/c1-15(2)11-25-21(28)20-13-27(12-16-3-7-18(23)8-4-16)26-22(20)29-14-17-5-9-19(24)10-6-17/h3-10,13,15H,11-12,14H2,1-2H3,(H,25,28)
InChIKeyVQBOLTFZNUNKQO-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide (CID 16925740) is 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)CNC(=O)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is VQBOLTFZNUNKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-15(2)11-25-21(28)20-13-27(12-16-3-7-18(23)8-4-16)26-22(20)29-14-17-5-9-19(24)10-6-17/h3-10,13,15H,11-12,14H2,1-2H3,(H,25,28).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide?
3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16925740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).