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

C16H26F2N4O — CID 146598858

IUPAC3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine
SMILESNc1cn(C2CCC(COC3CCNCC3)CC2)nc1C(F)F
InChIInChI=1S/C16H26F2N4O/c17-16(18)15-14(19)9-22(21-15)12-3-1-11(2-4-12)10-23-13-5-7-20-8-6-13/h9,11-13,16,20H,1-8,10,19H2
InChIKeyWJEFOHSQWGXPIV-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.90
Rot. Bonds5

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

3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine (PubChem CID 146598858) has the molecular formula C16H26F2N4O and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine
PubChem CID146598858
Molecular FormulaC16H26F2N4O
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine
SMILESNc1cn(C2CCC(COC3CCNCC3)CC2)nc1C(F)F
InChIInChI=1S/C16H26F2N4O/c17-16(18)15-14(19)9-22(21-15)12-3-1-11(2-4-12)10-23-13-5-7-20-8-6-13/h9,11-13,16,20H,1-8,10,19H2
InChIKeyWJEFOHSQWGXPIV-UHFFFAOYSA-N
XLogP2.90
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine (CID 146598858) is 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine is Nc1cn(C2CCC(COC3CCNCC3)CC2)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine?
The InChIKey is WJEFOHSQWGXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O/c17-16(18)15-14(19)9-22(21-15)12-3-1-11(2-4-12)10-23-13-5-7-20-8-6-13/h9,11-13,16,20H,1-8,10,19H2.
What are the key properties of 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine?
3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine has a molecular weight of 328.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 146598858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).