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

C25H26FN3O5 — CID 118568863

IUPAC4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cc(C(=O)NC2CCC(C(=O)O)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C25H26FN3O5/c1-33-21-4-3-5-22(34-2)23(21)20-14-19(28-29(20)18-12-8-16(26)9-13-18)24(30)27-17-10-6-15(7-11-17)25(31)32/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyZZCLXDASRJGXPZ-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.07
Rot. Bonds7

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

4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 118568863) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID118568863
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cc(C(=O)NC2CCC(C(=O)O)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C25H26FN3O5/c1-33-21-4-3-5-22(34-2)23(21)20-14-19(28-29(20)18-12-8-16(26)9-13-18)24(30)27-17-10-6-15(7-11-17)25(31)32/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyZZCLXDASRJGXPZ-UHFFFAOYSA-N
XLogP4.07
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
CID 118395944
methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 118395916
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-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067805
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229795
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 167400752
cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011
1-(3-carboxy-4-chlorophenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 22111795
2-[[2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-formylamino]acetyl]amino]acetic acid
CID 139375049

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 118568863) is 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid is COc1cccc(OC)c1-c1cc(C(=O)NC2CCC(C(=O)O)CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZZCLXDASRJGXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-33-21-4-3-5-22(34-2)23(21)20-14-19(28-29(20)18-12-8-16(26)9-13-18)24(30)27-17-10-6-15(7-11-17)25(31)32/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3,(H,27,30)(H,31,32).
What are the key properties of 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 467.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118568863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).