3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine

C15H17ClF2N4O — CID 118522788

IUPAC3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine
SMILESNc1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H17ClF2N4O/c16-9-1-2-13(23-15(17)18)11(7-9)14-12(19)8-22(21-14)10-3-5-20-6-4-10/h1-2,7-8,10,15,20H,3-6,19H2
InChIKeyQGSQIARRTUZFAD-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.31
Rot. Bonds4

About 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine

3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine (PubChem CID 118522788) has the molecular formula C15H17ClF2N4O and a molecular weight of 342.78 g/mol. Its IUPAC name is 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine
PubChem CID118522788
Molecular FormulaC15H17ClF2N4O
Molecular Weight342.78 g/mol
Exact Mass342.11
IUPAC Name3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine
SMILESNc1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H17ClF2N4O/c16-9-1-2-13(23-15(17)18)11(7-9)14-12(19)8-22(21-14)10-3-5-20-6-4-10/h1-2,7-8,10,15,20H,3-6,19H2
InChIKeyQGSQIARRTUZFAD-UHFFFAOYSA-N
XLogP3.31
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine?
The IUPAC name of 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine (CID 118522788) is 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine.
What is the SMILES notation for 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine?
The canonical SMILES for 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine is Nc1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine?
The InChIKey is QGSQIARRTUZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4O/c16-9-1-2-13(23-15(17)18)11(7-9)14-12(19)8-22(21-14)10-3-5-20-6-4-10/h1-2,7-8,10,15,20H,3-6,19H2.
What are the key properties of 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine?
3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine has a molecular weight of 342.78 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine is sourced from PubChem (CID 118522788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).