3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine

C16H26F2N4O — CID 146598859

IUPAC3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine
SMILESNc1cn(C2(CON3CCCCC3)CCCCC2)nc1C(F)F
InChIInChI=1S/C16H26F2N4O/c17-15(18)14-13(19)11-22(20-14)16(7-3-1-4-8-16)12-23-21-9-5-2-6-10-21/h11,15H,1-10,12,19H2
InChIKeyBLEIJQOYOVRVHL-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.48
Rot. Bonds5

About 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine

3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine (PubChem CID 146598859) has the molecular formula C16H26F2N4O and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine
PubChem CID146598859
Molecular FormulaC16H26F2N4O
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine
SMILESNc1cn(C2(CON3CCCCC3)CCCCC2)nc1C(F)F
InChIInChI=1S/C16H26F2N4O/c17-15(18)14-13(19)11-22(20-14)16(7-3-1-4-8-16)12-23-21-9-5-2-6-10-21/h11,15H,1-10,12,19H2
InChIKeyBLEIJQOYOVRVHL-UHFFFAOYSA-N
XLogP3.48
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine 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 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine (CID 146598859) is 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine is Nc1cn(C2(CON3CCCCC3)CCCCC2)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine?
The InChIKey is BLEIJQOYOVRVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O/c17-15(18)14-13(19)11-22(20-14)16(7-3-1-4-8-16)12-23-21-9-5-2-6-10-21/h11,15H,1-10,12,19H2.
What are the key properties of 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine?
3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine has a molecular weight of 328.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[1-(piperidin-1-yloxymethyl)cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 146598859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).