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

C23H23F2N3O3 — CID 16925749

IUPAC3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1
InChIInChI=1S/C23H23F2N3O3/c24-18-7-3-16(4-8-18)13-28-14-21(22(29)26-12-20-2-1-11-30-20)23(27-28)31-15-17-5-9-19(25)10-6-17/h3-10,14,20H,1-2,11-13,15H2,(H,26,29)
InChIKeyHEOBGJJFJAQKJP-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.70
Rot. Bonds8

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

3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 16925749) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID16925749
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1
InChIInChI=1S/C23H23F2N3O3/c24-18-7-3-16(4-8-18)13-28-14-21(22(29)26-12-20-2-1-11-30-20)23(27-28)31-15-17-5-9-19(25)10-6-17/h3-10,14,20H,1-2,11-13,15H2,(H,26,29)
InChIKeyHEOBGJJFJAQKJP-UHFFFAOYSA-N
XLogP3.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 16925749) is 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is O=C(NCC1CCCO1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HEOBGJJFJAQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c24-18-7-3-16(4-8-18)13-28-14-21(22(29)26-12-20-2-1-11-30-20)23(27-28)31-15-17-5-9-19(25)10-6-17/h3-10,14,20H,1-2,11-13,15H2,(H,26,29).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 427.45 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16925749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).