4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide

C24H19ClFN3O2 — CID 19285169

IUPAC4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(COc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H19ClFN3O2/c25-20-2-1-3-22(14-20)31-16-18-4-8-19(9-5-18)24(30)27-23-12-13-29(28-23)15-17-6-10-21(26)11-7-17/h1-14H,15-16H2,(H,27,28,30)
InChIKeyRROZSFNRBZLCJY-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.56
Rot. Bonds7

About 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide

4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19285169) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19285169
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC Name4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(COc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H19ClFN3O2/c25-20-2-1-3-22(14-20)31-16-18-4-8-19(9-5-18)24(30)27-23-12-13-29(28-23)15-17-6-10-21(26)11-7-17/h1-14H,15-16H2,(H,27,28,30)
InChIKeyRROZSFNRBZLCJY-UHFFFAOYSA-N
XLogP5.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19402873
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285165
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
3-[(3-bromophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283705
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]benzamide
CID 19284353

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19285169) is 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(COc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is RROZSFNRBZLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c25-20-2-1-3-22(14-20)31-16-18-4-8-19(9-5-18)24(30)27-23-12-13-29(28-23)15-17-6-10-21(26)11-7-17/h1-14H,15-16H2,(H,27,28,30).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 435.89 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19285169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).