N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide

C26H23F2N3O2 — CID 46042766

IUPACN-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccccc1
InChIInChI=1S/C26H23F2N3O2/c1-18-22(15-16-25(32)29-17-19-7-3-2-4-8-19)26(33-24-10-6-5-9-23(24)28)31(30-18)21-13-11-20(27)12-14-21/h2-14H,15-17H2,1H3,(H,29,32)
InChIKeyBOQCBKSPSRUWFR-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.50
Rot. Bonds8

About N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide

N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide (PubChem CID 46042766) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
PubChem CID46042766
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccccc1
InChIInChI=1S/C26H23F2N3O2/c1-18-22(15-16-25(32)29-17-19-7-3-2-4-8-19)26(33-24-10-6-5-9-23(24)28)31(30-18)21-13-11-20(27)12-14-21/h2-14H,15-17H2,1H3,(H,29,32)
InChIKeyBOQCBKSPSRUWFR-UHFFFAOYSA-N
XLogP5.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042772
N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide
CID 42850619
3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 46042798
N-ethyl-3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-methylpropanamide
CID 46043116
3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042648
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 46043113
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46043139
N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850588
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide?
The IUPAC name of N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide (CID 46042766) is N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide?
The canonical SMILES for N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide is Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide?
The InChIKey is BOQCBKSPSRUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c1-18-22(15-16-25(32)29-17-19-7-3-2-4-8-19)26(33-24-10-6-5-9-23(24)28)31(30-18)21-13-11-20(27)12-14-21/h2-14H,15-17H2,1H3,(H,29,32).
What are the key properties of N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide?
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide has a molecular weight of 447.49 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 46042766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).