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-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide

C46H51F3N6O5 — CID 67425948

IUPACN-[(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-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide
SMILESCOc1ccc(-c2cnn(CCCC(=O)N(C)Cc3cc(F)ccc3OC)c2)cc1.COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C23H25F2N3O2.C23H26FN3O3/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;1-26(15-18-13-20(24)8-11-22(18)30-3)23(28)5-4-12-27-16-19(14-25-27)17-6-9-21(29-2)10-7-17/h6-9,11-13,15H,4-5,10,14H2,1-3H3;6-11,13-14,16H,4-5,12,15H2,1-3H3
InChIKeyVFBBCNUSTRFUKO-UHFFFAOYSA-N
MW824.95 g/mol
LogP8.73
Rot. Bonds17

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-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide

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-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide (PubChem CID 67425948) has the molecular formula C46H51F3N6O5 and a molecular weight of 824.95 g/mol. Its IUPAC name is 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-methoxyphenyl)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;N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide
PubChem CID67425948
Molecular FormulaC46H51F3N6O5
Molecular Weight824.95 g/mol
Exact Mass824.39
IUPAC NameN-[(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-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide
SMILESCOc1ccc(-c2cnn(CCCC(=O)N(C)Cc3cc(F)ccc3OC)c2)cc1.COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C23H25F2N3O2.C23H26FN3O3/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;1-26(15-18-13-20(24)8-11-22(18)30-3)23(28)5-4-12-27-16-19(14-25-27)17-6-9-21(29-2)10-7-17/h6-9,11-13,15H,4-5,10,14H2,1-3H3;6-11,13-14,16H,4-5,12,15H2,1-3H3
InChIKeyVFBBCNUSTRFUKO-UHFFFAOYSA-N
XLogP8.73
TPSA103.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.95
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide with MolForge

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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]-N-methylbutanamide;N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)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;N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide (CID 67425948) is 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-methoxyphenyl)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;N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)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;N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide is COc1ccc(-c2cnn(CCCC(=O)N(C)Cc3cc(F)ccc3OC)c2)cc1.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;N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide?
The InChIKey is VFBBCNUSTRFUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2.C23H26FN3O3/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;1-26(15-18-13-20(24)8-11-22(18)30-3)23(28)5-4-12-27-16-19(14-25-27)17-6-9-21(29-2)10-7-17/h6-9,11-13,15H,4-5,10,14H2,1-3H3;6-11,13-14,16H,4-5,12,15H2,1-3H3.
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-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide?
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-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide has a molecular weight of 824.95 g/mol, XLogP of 8.73, 17 rotatable bonds, 0 hydrogen bond donors, and 9 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;N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide is sourced from PubChem (CID 67425948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).