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

C14H19F2N5O — CID 162563637

IUPAC5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(C3=CN=C(OC(F)F)CC3)CC2)[nH]n1
InChIInChI=1S/C14H19F2N5O/c15-14(16)22-13-2-1-10(8-18-13)21-5-3-9(4-6-21)11-7-12(17)20-19-11/h7-9,14H,1-6H2,(H3,17,19,20)
InChIKeyJUOQUTSAGIZHEF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.44
Rot. Bonds3

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

5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 162563637) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID162563637
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(C3=CN=C(OC(F)F)CC3)CC2)[nH]n1
InChIInChI=1S/C14H19F2N5O/c15-14(16)22-13-2-1-10(8-18-13)21-5-3-9(4-6-21)11-7-12(17)20-19-11/h7-9,14H,1-6H2,(H3,17,19,20)
InChIKeyJUOQUTSAGIZHEF-UHFFFAOYSA-N
XLogP2.44
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine (CID 162563637) is 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine is Nc1cc(C2CCN(C3=CN=C(OC(F)F)CC3)CC2)[nH]n1.
What is the InChIKey of 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is JUOQUTSAGIZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c15-14(16)22-13-2-1-10(8-18-13)21-5-3-9(4-6-21)11-7-12(17)20-19-11/h7-9,14H,1-6H2,(H3,17,19,20).
What are the key properties of 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 311.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 162563637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).