4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine

C16H26F2N4 — CID 118969807

IUPAC4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine
SMILESNc1nn(CCN2CCC(F)(F)CC2)cc1C1CCCCC1
InChIInChI=1S/C16H26F2N4/c17-16(18)6-8-21(9-7-16)10-11-22-12-14(15(19)20-22)13-4-2-1-3-5-13/h12-13H,1-11H2,(H2,19,20)
InChIKeyVLEZZHKNJVJWAG-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.24
Rot. Bonds4

About 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine

4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine (PubChem CID 118969807) has the molecular formula C16H26F2N4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine
PubChem CID118969807
Molecular FormulaC16H26F2N4
Molecular Weight312.41 g/mol
Exact Mass312.21
IUPAC Name4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine
SMILESNc1nn(CCN2CCC(F)(F)CC2)cc1C1CCCCC1
InChIInChI=1S/C16H26F2N4/c17-16(18)6-8-21(9-7-16)10-11-22-12-14(15(19)20-22)13-4-2-1-3-5-13/h12-13H,1-11H2,(H2,19,20)
InChIKeyVLEZZHKNJVJWAG-UHFFFAOYSA-N
XLogP3.24
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine (CID 118969807) is 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine is Nc1nn(CCN2CCC(F)(F)CC2)cc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine?
The InChIKey is VLEZZHKNJVJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4/c17-16(18)6-8-21(9-7-16)10-11-22-12-14(15(19)20-22)13-4-2-1-3-5-13/h12-13H,1-11H2,(H2,19,20).
What are the key properties of 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine?
4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine has a molecular weight of 312.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 118969807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).