4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine

C14H15FN4O2 — CID 147995938

IUPAC4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine
SMILESO=[N+]([O-])c1ccc(-c2cnn(C3CCNCC3)c2)c(F)c1
InChIInChI=1S/C14H15FN4O2/c15-14-7-12(19(20)21)1-2-13(14)10-8-17-18(9-10)11-3-5-16-6-4-11/h1-2,7-9,11,16H,3-6H2
InChIKeyIVZSYNXRRDULQV-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.52
Rot. Bonds3

About 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine

4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine (PubChem CID 147995938) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine
PubChem CID147995938
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine
SMILESO=[N+]([O-])c1ccc(-c2cnn(C3CCNCC3)c2)c(F)c1
InChIInChI=1S/C14H15FN4O2/c15-14-7-12(19(20)21)1-2-13(14)10-8-17-18(9-10)11-3-5-16-6-4-11/h1-2,7-9,11,16H,3-6H2
InChIKeyIVZSYNXRRDULQV-UHFFFAOYSA-N
XLogP2.52
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine?
The IUPAC name of 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine (CID 147995938) is 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine is O=[N+]([O-])c1ccc(-c2cnn(C3CCNCC3)c2)c(F)c1.
What is the InChIKey of 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine?
The InChIKey is IVZSYNXRRDULQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-14-7-12(19(20)21)1-2-13(14)10-8-17-18(9-10)11-3-5-16-6-4-11/h1-2,7-9,11,16H,3-6H2.
What are the key properties of 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine?
4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine has a molecular weight of 290.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-4-nitrophenyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 147995938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).