4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C15H20F3N3O3 — CID 119229291

IUPAC4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)n1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C(F)(F)F
InChIInChI=1S/C15H20F3N3O3/c1-8(2)21-12(15(16,17)18)11(7-19-21)13(22)20-10-5-3-9(4-6-10)14(23)24/h7-10H,3-6H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyXSEDWZJRBGYWRJ-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.86
Rot. Bonds4

About 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229291) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229291
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)n1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C(F)(F)F
InChIInChI=1S/C15H20F3N3O3/c1-8(2)21-12(15(16,17)18)11(7-19-21)13(22)20-10-5-3-9(4-6-10)14(23)24/h7-10H,3-6H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyXSEDWZJRBGYWRJ-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 119229291) is 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is CC(C)n1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C(F)(F)F.
What is the InChIKey of 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is XSEDWZJRBGYWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-8(2)21-12(15(16,17)18)11(7-19-21)13(22)20-10-5-3-9(4-6-10)14(23)24/h7-10H,3-6H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 347.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).