4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride

C74H75Cl3F9N9O15 — CID 161018803

IUPAC4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride
SMILESCOCCOc1ccc(CC(=O)CCc2cc(C)nn2-c2cccc(Cl)c2)cc1F.COCCOc1ccc(N)cc1F.COCCOc1ccc(NC(=O)Oc2ccccc2)cc1F.COCCOc1ccc([N+](=O)[O-])cc1F.Cl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.O=[N+]([O-])c1ccc(F)c(F)c1
InChIInChI=1S/C23H24ClFN2O3.C16H16FNO4.C11H9ClF3N3.C9H10FNO4.C9H12FNO2.C6H3F2NO2.ClH/c1-16-12-20(27(26-16)19-5-3-4-18(24)15-19)7-8-21(28)13-17-6-9-23(22(25)14-17)30-11-10-29-2;1-20-9-10-21-15-8-7-12(11-14(15)17)18-16(19)22-13-5-3-2-4-6-13;12-7-2-1-3-8(4-7)18-9(6-16)5-10(17-18)11(13,14)15;1-14-4-5-15-9-3-2-7(11(12)13)6-8(9)10;1-12-4-5-13-9-3-2-7(11)6-8(9)10;7-5-2-1-4(9(10)11)3-6(5)8;/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3;2-8,11H,9-10H2,1H3,(H,18,19);1-5H,6,16H2;2-3,6H,4-5H2,1H3;2-3,6H,4-5,11H2,1H3;1-3H;1H
InChIKeyJCGCFYIMPSHXGY-UHFFFAOYSA-N
MW1607.80 g/mol
LogP16.69
Rot. Bonds28

About 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride

4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride (PubChem CID 161018803) has the molecular formula C74H75Cl3F9N9O15 and a molecular weight of 1607.80 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride
PubChem CID161018803
Molecular FormulaC74H75Cl3F9N9O15
Molecular Weight1607.80 g/mol
Exact Mass1605.43
IUPAC Name4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride
SMILESCOCCOc1ccc(CC(=O)CCc2cc(C)nn2-c2cccc(Cl)c2)cc1F.COCCOc1ccc(N)cc1F.COCCOc1ccc(NC(=O)Oc2ccccc2)cc1F.COCCOc1ccc([N+](=O)[O-])cc1F.Cl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.O=[N+]([O-])c1ccc(F)c(F)c1
InChIInChI=1S/C23H24ClFN2O3.C16H16FNO4.C11H9ClF3N3.C9H10FNO4.C9H12FNO2.C6H3F2NO2.ClH/c1-16-12-20(27(26-16)19-5-3-4-18(24)15-19)7-8-21(28)13-17-6-9-23(22(25)14-17)30-11-10-29-2;1-20-9-10-21-15-8-7-12(11-14(15)17)18-16(19)22-13-5-3-2-4-6-13;12-7-2-1-3-8(4-7)18-9(6-16)5-10(17-18)11(13,14)15;1-14-4-5-15-9-3-2-7(11(12)13)6-8(9)10;1-12-4-5-13-9-3-2-7(11)6-8(9)10;7-5-2-1-4(9(10)11)3-6(5)8;/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3;2-8,11H,9-10H2,1H3,(H,18,19);1-5H,6,16H2;2-3,6H,4-5H2,1H3;2-3,6H,4-5,11H2,1H3;1-3H;1H
InChIKeyJCGCFYIMPSHXGY-UHFFFAOYSA-N
XLogP16.69
TPSA303.20 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.80
LogP ≤ 516.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride 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

(4-amino-2-fluorophenyl)methanol;4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1-[3-fluoro-4-(hydroxymethyl)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;4-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxobutyl]-2-fluorobenzaldehyde;1-[3-fluoro-4-(hydroxymethyl)phenyl]propan-2-one;(2-fluoro-4-nitrophenyl)methanol;methyl 2-fluoro-4-nitrobenzoate
CID 160580449
2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
CID 157461240
4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(hydroxymethyl)phenyl]butan-2-one;methyl 4-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]-2-fluorobenzoate
CID 159499723
tert-butyl N-[[5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]-2-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 159639033
5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide
CID 162182267
4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[4-(1,2,3-trihydroxypropan-2-yl)phenyl]butan-2-one
CID 159223839
4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]butan-2-one
CID 158339331
N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3,5-difluoro-4-hydroxyphenyl)acetamide
CID 87087896
[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;4-(2-methylsulfonylethyl)aniline;1-(2-methylsulfonylethyl)-4-nitrobenzene;1-[4-(2-methylsulfonylethyl)phenyl]propan-2-one;(4-nitrophenyl)methanamine;(4-nitrophenyl)methanol;2-[(4-nitrophenyl)methyl]isoindole-1,3-dione;(4-nitrophenyl)methyl methanesulfonate
CID 161451100
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909
[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 70847705
2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 38134685

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride?
The IUPAC name of 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride (CID 161018803) is 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride?
The canonical SMILES for 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride is COCCOc1ccc(CC(=O)CCc2cc(C)nn2-c2cccc(Cl)c2)cc1F.COCCOc1ccc(N)cc1F.COCCOc1ccc(NC(=O)Oc2ccccc2)cc1F.COCCOc1ccc([N+](=O)[O-])cc1F.Cl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.O=[N+]([O-])c1ccc(F)c(F)c1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride?
The InChIKey is JCGCFYIMPSHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O3.C16H16FNO4.C11H9ClF3N3.C9H10FNO4.C9H12FNO2.C6H3F2NO2.ClH/c1-16-12-20(27(26-16)19-5-3-4-18(24)15-19)7-8-21(28)13-17-6-9-23(22(25)14-17)30-11-10-29-2;1-20-9-10-21-15-8-7-12(11-14(15)17)18-16(19)22-13-5-3-2-4-6-13;12-7-2-1-3-8(4-7)18-9(6-16)5-10(17-18)11(13,14)15;1-14-4-5-15-9-3-2-7(11(12)13)6-8(9)10;1-12-4-5-13-9-3-2-7(11)6-8(9)10;7-5-2-1-4(9(10)11)3-6(5)8;/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3;2-8,11H,9-10H2,1H3,(H,18,19);1-5H,6,16H2;2-3,6H,4-5H2,1H3;2-3,6H,4-5,11H2,1H3;1-3H;1H.
What are the key properties of 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride?
4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride has a molecular weight of 1607.80 g/mol, XLogP of 16.69, 28 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride is sourced from PubChem (CID 161018803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).