2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol

C10H14F2N4O3 — CID 70801825

IUPAC2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol
SMILESO=[N+]([O-])c1cnn(CCO)c1N1CCCC(F)(F)C1
InChIInChI=1S/C10H14F2N4O3/c11-10(12)2-1-3-14(7-10)9-8(16(18)19)6-13-15(9)4-5-17/h6,17H,1-5,7H2
InChIKeyLVFJPCMMBCAINT-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.02
Rot. Bonds4

About 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol

2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol (PubChem CID 70801825) has the molecular formula C10H14F2N4O3 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol
PubChem CID70801825
Molecular FormulaC10H14F2N4O3
Molecular Weight276.24 g/mol
Exact Mass276.10
IUPAC Name2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol
SMILESO=[N+]([O-])c1cnn(CCO)c1N1CCCC(F)(F)C1
InChIInChI=1S/C10H14F2N4O3/c11-10(12)2-1-3-14(7-10)9-8(16(18)19)6-13-15(9)4-5-17/h6,17H,1-5,7H2
InChIKeyLVFJPCMMBCAINT-UHFFFAOYSA-N
XLogP1.02
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol (CID 70801825) is 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol is O=[N+]([O-])c1cnn(CCO)c1N1CCCC(F)(F)C1.
What is the InChIKey of 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol?
The InChIKey is LVFJPCMMBCAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O3/c11-10(12)2-1-3-14(7-10)9-8(16(18)19)6-13-15(9)4-5-17/h6,17H,1-5,7H2.
What are the key properties of 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol?
2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol has a molecular weight of 276.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,3-difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol is sourced from PubChem (CID 70801825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).