4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine

C14H16N4O2 — CID 154678488

IUPAC4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine
SMILESO=[N+]([O-])c1ccc(C2CCN(c3cn[nH]c3)CC2)cc1
InChIInChI=1S/C14H16N4O2/c19-18(20)13-3-1-11(2-4-13)12-5-7-17(8-6-12)14-9-15-16-10-14/h1-4,9-10,12H,5-8H2,(H,15,16)
InChIKeyUJPLYQHXNQWLJF-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.70
Rot. Bonds3

About 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine

4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine (PubChem CID 154678488) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine
PubChem CID154678488
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine
SMILESO=[N+]([O-])c1ccc(C2CCN(c3cn[nH]c3)CC2)cc1
InChIInChI=1S/C14H16N4O2/c19-18(20)13-3-1-11(2-4-13)12-5-7-17(8-6-12)14-9-15-16-10-14/h1-4,9-10,12H,5-8H2,(H,15,16)
InChIKeyUJPLYQHXNQWLJF-UHFFFAOYSA-N
XLogP2.70
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine
CID 133300632
4-(4-nitrophenyl)-1-sulfanylpiperidine
CID 175488056
N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide
CID 154678473
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
CID 154678453
3-[4-[1-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363541
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
4-(3-methylimidazol-4-yl)-1-(4-nitrophenyl)piperidine;4-[4-(3-methylimidazol-4-yl)piperidin-1-yl]aniline
CID 162068266
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
5-nitro-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine
CID 151997556
4-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 75425353
4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one
CID 67815214

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine (CID 154678488) is 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine is O=[N+]([O-])c1ccc(C2CCN(c3cn[nH]c3)CC2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine?
The InChIKey is UJPLYQHXNQWLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-18(20)13-3-1-11(2-4-13)12-5-7-17(8-6-12)14-9-15-16-10-14/h1-4,9-10,12H,5-8H2,(H,15,16).
What are the key properties of 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine?
4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine has a molecular weight of 272.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-1-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 154678488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).