N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H26F4N4O2 — CID 166342991

IUPACN-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(CC(C)NC(=O)C1(F)CCCCC1)NC(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C18H26F4N4O2/c1-11(9-12(2)25-16(28)17(19)7-5-4-6-8-17)24-15(27)13-10-23-26(3)14(13)18(20,21)22/h10-12H,4-9H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyVEZLKNJQQBMOJO-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.12
Rot. Bonds6

About N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 166342991) has the molecular formula C18H26F4N4O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID166342991
Molecular FormulaC18H26F4N4O2
Molecular Weight406.42 g/mol
Exact Mass406.20
IUPAC NameN-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(CC(C)NC(=O)C1(F)CCCCC1)NC(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C18H26F4N4O2/c1-11(9-12(2)25-16(28)17(19)7-5-4-6-8-17)24-15(27)13-10-23-26(3)14(13)18(20,21)22/h10-12H,4-9H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyVEZLKNJQQBMOJO-UHFFFAOYSA-N
XLogP3.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide 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 N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 166342991) is N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(CC(C)NC(=O)C1(F)CCCCC1)NC(=O)c1cnn(C)c1C(F)(F)F.
What is the InChIKey of N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VEZLKNJQQBMOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4N4O2/c1-11(9-12(2)25-16(28)17(19)7-5-4-6-8-17)24-15(27)13-10-23-26(3)14(13)18(20,21)22/h10-12H,4-9H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-fluorocyclohexanecarbonyl)amino]pentan-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166342991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).