[1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate

C32H26FN3O4 — CID 46013881

IUPAC[1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate
SMILESCOc1ccc(C(=O)Nc2ccc(-c3c(-c4cccc(C)c4)nn(-c4cccc(F)c4)c3OC(C)=O)cc2)cc1
InChIInChI=1S/C32H26FN3O4/c1-20-6-4-7-24(18-20)30-29(32(40-21(2)37)36(35-30)27-9-5-8-25(33)19-27)22-10-14-26(15-11-22)34-31(38)23-12-16-28(39-3)17-13-23/h4-19H,1-3H3,(H,34,38)
InChIKeyJVHZMAIWKKQKMI-UHFFFAOYSA-N
MW535.58 g/mol
LogP6.84
Rot. Bonds7

About [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate

[1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate (PubChem CID 46013881) has the molecular formula C32H26FN3O4 and a molecular weight of 535.58 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate
PubChem CID46013881
Molecular FormulaC32H26FN3O4
Molecular Weight535.58 g/mol
Exact Mass535.19
IUPAC Name[1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate
SMILESCOc1ccc(C(=O)Nc2ccc(-c3c(-c4cccc(C)c4)nn(-c4cccc(F)c4)c3OC(C)=O)cc2)cc1
InChIInChI=1S/C32H26FN3O4/c1-20-6-4-7-24(18-20)30-29(32(40-21(2)37)36(35-30)27-9-5-8-25(33)19-27)22-10-14-26(15-11-22)34-31(38)23-12-16-28(39-3)17-13-23/h4-19H,1-3H3,(H,34,38)
InChIKeyJVHZMAIWKKQKMI-UHFFFAOYSA-N
XLogP6.84
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.58
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-benzamidophenyl)-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl] acetate
CID 46013587
[3-(4-methoxyphenyl)-4-[4-[(2-methylbenzoyl)amino]phenyl]-1-(3-methylphenyl)pyrazol-5-yl] acetate
CID 42837966
[3-(3,4-dimethoxyphenyl)-4-[4-[(3-fluorobenzoyl)amino]phenyl]-1-(4-methylphenyl)pyrazol-5-yl] acetate
CID 42838194
[1-(3-fluorophenyl)-3-propan-2-yl-4-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]pyrazol-5-yl] acetate
CID 46013787
[4-[4-[(4-fluorobenzoyl)amino]phenyl]-1,3-bis(4-fluorophenyl)pyrazol-5-yl] acetate
CID 46013727
[4-[4-[(3-bromobenzoyl)amino]phenyl]-3-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl] acetate
CID 42838229
[4-[4-[(2-fluorobenzoyl)amino]phenyl]-3-(3-fluorophenyl)-1-(4-methylphenyl)pyrazol-5-yl] acetate
CID 46013456
[3-(3-fluorophenyl)-4-[4-[(2-methylbenzoyl)amino]phenyl]-1-(4-methylphenyl)pyrazol-5-yl] acetate
CID 46013459
[3-cyclopropyl-4-[4-[(4-fluorobenzoyl)amino]phenyl]-1-(3-fluorophenyl)pyrazol-5-yl] acetate
CID 46013315
[4-[4-[(2-fluorobenzoyl)amino]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl] acetate
CID 46013474
[4-[4-[(4-methylbenzoyl)amino]phenyl]-1-phenyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-yl] acetate
CID 46013709
[4-[4-[(3-chlorobenzoyl)amino]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl] acetate
CID 46013479

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate?
The IUPAC name of [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate (CID 46013881) is [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate.
What is the SMILES notation for [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate?
The canonical SMILES for [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate is COc1ccc(C(=O)Nc2ccc(-c3c(-c4cccc(C)c4)nn(-c4cccc(F)c4)c3OC(C)=O)cc2)cc1.
What is the InChIKey of [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate?
The InChIKey is JVHZMAIWKKQKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O4/c1-20-6-4-7-24(18-20)30-29(32(40-21(2)37)36(35-30)27-9-5-8-25(33)19-27)22-10-14-26(15-11-22)34-31(38)23-12-16-28(39-3)17-13-23/h4-19H,1-3H3,(H,34,38).
What are the key properties of [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate?
[1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate has a molecular weight of 535.58 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-4-[4-[(4-methoxybenzoyl)amino]phenyl]-3-(3-methylphenyl)pyrazol-5-yl] acetate is sourced from PubChem (CID 46013881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).