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

C23H25F2N3O2 — CID 66679647

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide
SMILESCOc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C23H25F2N3O2/c1-16-11-19(24)6-8-21(16)18-13-26-28(15-18)10-4-5-23(29)27(2)14-17-12-20(25)7-9-22(17)30-3/h6-9,11-13,15H,4-5,10,14H2,1-3H3
InChIKeyGVVMGURMVAPNPT-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.58
Rot. Bonds8

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

N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide (PubChem CID 66679647) 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]-N-methylbutanamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide
PubChem CID66679647
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]-N-methylbutanamide
SMILESCOc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C23H25F2N3O2/c1-16-11-19(24)6-8-21(16)18-13-26-28(15-18)10-4-5-23(29)27(2)14-17-12-20(25)7-9-22(17)30-3/h6-9,11-13,15H,4-5,10,14H2,1-3H3
InChIKeyGVVMGURMVAPNPT-UHFFFAOYSA-N
XLogP4.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide (CID 66679647) is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide is COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2C)cn1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide?
The InChIKey is GVVMGURMVAPNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-16-11-19(24)6-8-21(16)18-13-26-28(15-18)10-4-5-23(29)27(2)14-17-12-20(25)7-9-22(17)30-3/h6-9,11-13,15H,4-5,10,14H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide?
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluoro-2-methylphenyl)pyrazol-1-yl]-N-methylbutanamide has a molecular weight of 413.47 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 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]-N-methylbutanamide is sourced from PubChem (CID 66679647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).