methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate

C26H28FN3O5 — CID 118395916

IUPACmethyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(-c3c(OC)cccc3OC)n(-c3ccc(F)cc3)n2)CCCCC1
InChIInChI=1S/C26H28FN3O5/c1-33-21-8-7-9-22(34-2)23(21)20-16-19(29-30(20)18-12-10-17(27)11-13-18)24(31)28-26(25(32)35-3)14-5-4-6-15-26/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,31)
InChIKeyAIRWTYUQTKBUCW-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.30
Rot. Bonds7

About methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate

methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 118395916) has the molecular formula C26H28FN3O5 and a molecular weight of 481.52 g/mol. Its IUPAC name is methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID118395916
Molecular FormulaC26H28FN3O5
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC Namemethyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(-c3c(OC)cccc3OC)n(-c3ccc(F)cc3)n2)CCCCC1
InChIInChI=1S/C26H28FN3O5/c1-33-21-8-7-9-22(34-2)23(21)20-16-19(29-30(20)18-12-10-17(27)11-13-18)24(31)28-26(25(32)35-3)14-5-4-6-15-26/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,31)
InChIKeyAIRWTYUQTKBUCW-UHFFFAOYSA-N
XLogP4.30
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 51114145
5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
CID 118395944
methyl 1-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]cycloheptane-1-carboxylate
CID 118395854
4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 118568863
methyl (4R)-4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-2-oxopentanoate
CID 139393478
methyl (2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoate
CID 118568645
(3S)-3-[[5-[2-(carboxymethoxy)-6-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-methylhexanoic acid
CID 118568789
1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120515048
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
methyl 1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate;1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 162200373
1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119128240
1-(3-carboxy-4-chlorophenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 22111795

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 118395916) is methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2cc(-c3c(OC)cccc3OC)n(-c3ccc(F)cc3)n2)CCCCC1.
What is the InChIKey of methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is AIRWTYUQTKBUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O5/c1-33-21-8-7-9-22(34-2)23(21)20-16-19(29-30(20)18-12-10-17(27)11-13-18)24(31)28-26(25(32)35-3)14-5-4-6-15-26/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,31).
What are the key properties of methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 481.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 118395916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).