N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide

C23H25F2N3O2 — CID 91561462

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)n1cc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C23H25F2N3O2/c1-15-10-19(24)5-7-21(15)18-13-27-28(14-18)16(2)4-9-23(29)26-12-17-11-20(25)6-8-22(17)30-3/h5-8,10-11,13-14,16H,4,9,12H2,1-3H3,(H,26,29)
InChIKeyNKWRNXCIILQTHD-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.80
Rot. Bonds8

About N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide

N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide (PubChem CID 91561462) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide
PubChem CID91561462
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)n1cc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C23H25F2N3O2/c1-15-10-19(24)5-7-21(15)18-13-27-28(14-18)16(2)4-9-23(29)26-12-17-11-20(25)6-8-22(17)30-3/h5-8,10-11,13-14,16H,4,9,12H2,1-3H3,(H,26,29)
InChIKeyNKWRNXCIILQTHD-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide (CID 91561462) is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide is COc1ccc(F)cc1CNC(=O)CCC(C)n1cc(-c2ccc(F)cc2C)cn1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide?
The InChIKey is NKWRNXCIILQTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-15-10-19(24)5-7-21(15)18-13-27-28(14-18)16(2)4-9-23(29)26-12-17-11-20(25)6-8-22(17)30-3/h5-8,10-11,13-14,16H,4,9,12H2,1-3H3,(H,26,29).
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide?
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide has a molecular weight of 413.47 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pentanamide is sourced from PubChem (CID 91561462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).