N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide

C27H25ClFN3O3 — CID 51069637

IUPACN-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H25ClFN3O3/c1-31-27(35-23-14-10-21(28)11-15-23)24(25(30-31)19-6-4-3-5-7-19)18-32(16-17-34-2)26(33)20-8-12-22(29)13-9-20/h3-15H,16-18H2,1-2H3
InChIKeyDDLQOPKWOBUJIQ-UHFFFAOYSA-N
MW493.97 g/mol
LogP5.96
Rot. Bonds9

About N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide

N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 51069637) has the molecular formula C27H25ClFN3O3 and a molecular weight of 493.97 g/mol. Its IUPAC name is N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID51069637
Molecular FormulaC27H25ClFN3O3
Molecular Weight493.97 g/mol
Exact Mass493.16
IUPAC NameN-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H25ClFN3O3/c1-31-27(35-23-14-10-21(28)11-15-23)24(25(30-31)19-6-4-3-5-7-19)18-32(16-17-34-2)26(33)20-8-12-22(29)13-9-20/h3-15H,16-18H2,1-2H3
InChIKeyDDLQOPKWOBUJIQ-UHFFFAOYSA-N
XLogP5.96
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.97
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 44448521
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448560
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2,6-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448561
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(3-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448562
3-[(4-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]benzamide
CID 5075158
4-[(2-chlorophenoxy)methyl]-N-[1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]benzamide
CID 999529
[3-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxyazetidin-1-yl]-phenylmethanone
CID 73297180
[4-(4-Chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone
CID 2745776
(1-Benzyl-3,5-dimethylpyrazol-4-yl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 16283412
3-[4-(4-chlorophenoxy)phenyl]-N-[4-[2-(diethylamino)ethoxy]phenyl]-1-methylpyrazole-5-carboxamide
CID 90670654
3-[[4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]-N-methylbenzamide
CID 134328801
(3-chlorophenyl)-[4-[(4-methoxyphenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 156018708

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide (CID 51069637) is N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide is COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is DDLQOPKWOBUJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3O3/c1-31-27(35-23-14-10-21(28)11-15-23)24(25(30-31)19-6-4-3-5-7-19)18-32(16-17-34-2)26(33)20-8-12-22(29)13-9-20/h3-15H,16-18H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide?
N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 493.97 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 51069637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).