5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine

C14H17F2N5O — CID 118020611

IUPAC5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3ccc(OC(F)F)cn3)CC2)[nH]n1
InChIInChI=1S/C14H17F2N5O/c15-14(16)22-10-1-2-13(18-8-10)21-5-3-9(4-6-21)11-7-12(17)20-19-11/h1-2,7-9,14H,3-6H2,(H3,17,19,20)
InChIKeyKCCUHOFOEVZKLO-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.37
Rot. Bonds4

About 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 118020611) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID118020611
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3ccc(OC(F)F)cn3)CC2)[nH]n1
InChIInChI=1S/C14H17F2N5O/c15-14(16)22-10-1-2-13(18-8-10)21-5-3-9(4-6-21)11-7-12(17)20-19-11/h1-2,7-9,14H,3-6H2,(H3,17,19,20)
InChIKeyKCCUHOFOEVZKLO-UHFFFAOYSA-N
XLogP2.37
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine (CID 118020611) is 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine is Nc1cc(C2CCN(c3ccc(OC(F)F)cn3)CC2)[nH]n1.
What is the InChIKey of 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is KCCUHOFOEVZKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O/c15-14(16)22-10-1-2-13(18-8-10)21-5-3-9(4-6-21)11-7-12(17)20-19-11/h1-2,7-9,14H,3-6H2,(H3,17,19,20).
What are the key properties of 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 309.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118020611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).