4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C18H20FN3O3 — CID 120524577

IUPAC4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(F)ccc1-n1ccc(C(=O)NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C18H20FN3O3/c1-11-10-13(19)4-7-16(11)22-9-8-15(21-22)17(23)20-14-5-2-12(3-6-14)18(24)25/h4,7-10,12,14H,2-3,5-6H2,1H3,(H,20,23)(H,24,25)
InChIKeyRGOYULYIGJVLAU-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.69
Rot. Bonds4

About 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120524577) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120524577
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(F)ccc1-n1ccc(C(=O)NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C18H20FN3O3/c1-11-10-13(19)4-7-16(11)22-9-8-15(21-22)17(23)20-14-5-2-12(3-6-14)18(24)25/h4,7-10,12,14H,2-3,5-6H2,1H3,(H,20,23)(H,24,25)
InChIKeyRGOYULYIGJVLAU-UHFFFAOYSA-N
XLogP2.69
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 86787736
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229443
7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
CID 120524082
N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 87073349
1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
CID 75484539
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 75429283
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
CID 75520053
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 120524577) is 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1cc(F)ccc1-n1ccc(C(=O)NC2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RGOYULYIGJVLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11-10-13(19)4-7-16(11)22-9-8-15(21-22)17(23)20-14-5-2-12(3-6-14)18(24)25/h4,7-10,12,14H,2-3,5-6H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120524577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).