N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

C19H24F2N4O2 — CID 56756448

IUPACN-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccnn1C1CCN(CC(F)F)CC1
InChIInChI=1S/C19H24F2N4O2/c20-17(21)14-24-11-7-15(8-12-24)25-18(6-10-22-25)23-19(26)9-13-27-16-4-2-1-3-5-16/h1-6,10,15,17H,7-9,11-14H2,(H,23,26)
InChIKeyJFGREXSFGNGAHF-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.19
Rot. Bonds8

About N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 56756448) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID56756448
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC NameN-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccnn1C1CCN(CC(F)F)CC1
InChIInChI=1S/C19H24F2N4O2/c20-17(21)14-24-11-7-15(8-12-24)25-18(6-10-22-25)23-19(26)9-13-27-16-4-2-1-3-5-16/h1-6,10,15,17H,7-9,11-14H2,(H,23,26)
InChIKeyJFGREXSFGNGAHF-UHFFFAOYSA-N
XLogP3.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 56756448) is N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(CC(F)F)CC1.
What is the InChIKey of N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is JFGREXSFGNGAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c20-17(21)14-24-11-7-15(8-12-24)25-18(6-10-22-25)23-19(26)9-13-27-16-4-2-1-3-5-16/h1-6,10,15,17H,7-9,11-14H2,(H,23,26).
What are the key properties of N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 378.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 56756448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).