4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid

C14H19F2N3O3 — CID 166317404

IUPAC4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C(=O)NC1(C(=O)O)CCC(F)(F)CC1)n1cccn1
InChIInChI=1S/C14H19F2N3O3/c1-12(2,19-9-3-8-17-19)10(20)18-13(11(21)22)4-6-14(15,16)7-5-13/h3,8-9H,4-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyUKFBKNACZZTRMW-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.77
Rot. Bonds4

About 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid

4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 166317404) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID166317404
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Name4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C(=O)NC1(C(=O)O)CCC(F)(F)CC1)n1cccn1
InChIInChI=1S/C14H19F2N3O3/c1-12(2,19-9-3-8-17-19)10(20)18-13(11(21)22)4-6-14(15,16)7-5-13/h3,8-9H,4-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyUKFBKNACZZTRMW-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)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 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid (CID 166317404) is 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid is CC(C)(C(=O)NC1(C(=O)O)CCC(F)(F)CC1)n1cccn1.
What is the InChIKey of 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UKFBKNACZZTRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-12(2,19-9-3-8-17-19)10(20)18-13(11(21)22)4-6-14(15,16)7-5-13/h3,8-9H,4-7H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 315.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166317404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).