3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

C21H20FN3O2 — CID 24687585

IUPAC3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O2/c22-16-10-8-15(9-11-16)20-19(21(26)23-13-18-7-4-12-27-18)14-25(24-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,23,26)
InChIKeySUHNKQFJHQGXRY-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.59
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24687585) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID24687585
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O2/c22-16-10-8-15(9-11-16)20-19(21(26)23-13-18-7-4-12-27-18)14-25(24-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,23,26)
InChIKeySUHNKQFJHQGXRY-UHFFFAOYSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (CID 24687585) is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is O=C(NCC1CCCO1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is SUHNKQFJHQGXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-16-10-8-15(9-11-16)20-19(21(26)23-13-18-7-4-12-27-18)14-25(24-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.59, 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-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24687585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).