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

C26H28FN3O5 — CID 118568648

IUPACmethyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cc(-c3c(OC)cccc3OC)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C26H28FN3O5/c1-33-22-5-4-6-23(34-2)24(22)21-15-20(29-30(21)19-13-9-17(27)10-14-19)25(31)28-18-11-7-16(8-12-18)26(32)35-3/h4-6,9-10,13-16,18H,7-8,11-12H2,1-3H3,(H,28,31)
InChIKeyFVJORHURMQXJIJ-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.16
Rot. Bonds7

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

methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 118568648) has the molecular formula C26H28FN3O5 and a molecular weight of 481.52 g/mol. Its IUPAC name is methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID118568648
Molecular FormulaC26H28FN3O5
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC Namemethyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cc(-c3c(OC)cccc3OC)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C26H28FN3O5/c1-33-22-5-4-6-23(34-2)24(22)21-15-20(29-30(21)19-13-9-17(27)10-14-19)25(31)28-18-11-7-16(8-12-18)26(32)35-3/h4-6,9-10,13-16,18H,7-8,11-12H2,1-3H3,(H,28,31)
InChIKeyFVJORHURMQXJIJ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

SR142948A
CID 5311451
Pyrazole scaffold, 1b
CID 25218466
2-(5-(2,6-Dimethoxyphenyl)-1-(4-((3-(dimethylamino)propyl)(methyl)carbamoyl)-2-isopropylphenyl)-1H-pyrazole-3-carboxamido)adamantane-2-carboxylic acid hydrochloride
CID 9940110
Zalsenertant Tetraxetan
CID 74766516
Ethyl 4-[4-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 662514
(2S)-2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carbonyl]amino]acetic acid
CID 90644392
2-[[5-(2,6-Dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
CID 90644396
(2S)-2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 90644397
1-[[5-(2,6-Dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 90644398
1-[[1-(4-Fluorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 90644399
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
CID 118568534
(3S)-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-methylhexanoic acid
CID 118568646

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 118568648) is methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2cc(-c3c(OC)cccc3OC)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is FVJORHURMQXJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O5/c1-33-22-5-4-6-23(34-2)24(22)21-15-20(29-30(21)19-13-9-17(27)10-14-19)25(31)28-18-11-7-16(8-12-18)26(32)35-3/h4-6,9-10,13-16,18H,7-8,11-12H2,1-3H3,(H,28,31).
What are the key properties of methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 4-[[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 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 118568648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).