3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide

C27H26FN3O3 — CID 46295934

IUPAC3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C27H26FN3O3/c1-33-24-11-5-8-19(15-24)27-21(18-31(30-27)23-10-6-9-22(28)16-23)13-14-26(32)29-17-20-7-3-4-12-25(20)34-2/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,29,32)
InChIKeySDDMDZNJFQXPSE-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.94
Rot. Bonds9

About 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide

3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 46295934) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID46295934
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C27H26FN3O3/c1-33-24-11-5-8-19(15-24)27-21(18-31(30-27)23-10-6-9-22(28)16-23)13-14-26(32)29-17-20-7-3-4-12-25(20)34-2/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,29,32)
InChIKeySDDMDZNJFQXPSE-UHFFFAOYSA-N
XLogP4.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46295867
3-[5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 10311389
2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119
3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46295877
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504128
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295856
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 46295934) is 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is SDDMDZNJFQXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-33-24-11-5-8-19(15-24)27-21(18-31(30-27)23-10-6-9-22(28)16-23)13-14-26(32)29-17-20-7-3-4-12-25(20)34-2/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,29,32).
What are the key properties of 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 459.52 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46295934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).