4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C16H23F2N3O3 — CID 75497738

IUPAC4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)Cn1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C(F)F
InChIInChI=1S/C16H23F2N3O3/c1-9(2)8-21-13(14(17)18)12(7-19-21)15(22)20-11-5-3-10(4-6-11)16(23)24/h7,9-11,14H,3-6,8H2,1-2H3,(H,20,22)(H,23,24)
InChIKeySJGRLQDOSYNYAV-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.85
Rot. Bonds6

About 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 75497738) has the molecular formula C16H23F2N3O3 and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID75497738
Molecular FormulaC16H23F2N3O3
Molecular Weight343.37 g/mol
Exact Mass343.17
IUPAC Name4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)Cn1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C(F)F
InChIInChI=1S/C16H23F2N3O3/c1-9(2)8-21-13(14(17)18)12(7-19-21)15(22)20-11-5-3-10(4-6-11)16(23)24/h7,9-11,14H,3-6,8H2,1-2H3,(H,20,22)(H,23,24)
InChIKeySJGRLQDOSYNYAV-UHFFFAOYSA-N
XLogP2.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 75497738) is 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is CC(C)Cn1ncc(C(=O)NC2CCC(C(=O)O)CC2)c1C(F)F.
What is the InChIKey of 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SJGRLQDOSYNYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3/c1-9(2)8-21-13(14(17)18)12(7-19-21)15(22)20-11-5-3-10(4-6-11)16(23)24/h7,9-11,14H,3-6,8H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 343.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 75497738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).