[1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol

C9H14N4O3 — CID 114988278

IUPAC[1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1[nH]ncc1N1CCCCC1CO
InChIInChI=1S/C9H14N4O3/c14-6-7-3-1-2-4-12(7)8-5-10-11-9(8)13(15)16/h5,7,14H,1-4,6H2,(H,10,11)
InChIKeyISVMJQZTHAVPMI-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.67
Rot. Bonds3

About [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol

[1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol (PubChem CID 114988278) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol
PubChem CID114988278
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name[1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1[nH]ncc1N1CCCCC1CO
InChIInChI=1S/C9H14N4O3/c14-6-7-3-1-2-4-12(7)8-5-10-11-9(8)13(15)16/h5,7,14H,1-4,6H2,(H,10,11)
InChIKeyISVMJQZTHAVPMI-UHFFFAOYSA-N
XLogP0.67
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
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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Related Compounds

[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol
CID 61146528
[1-(3-amino-2-nitrophenyl)piperidin-2-yl]methanol
CID 80794415
[1-(2-iodo-4-nitrophenyl)piperidin-2-yl]methanol
CID 66093918
2-[1-(5-amino-1H-pyrazol-4-yl)piperidin-2-yl]ethanol
CID 82236215
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486
[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol
CID 79523718
[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-2-yl]methanol
CID 116739629
[1-[4-(hydroxymethyl)-2-nitrophenyl]pyrrolidin-2-yl]methanol
CID 61411135
2-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]acetic acid
CID 55104994
4-[2-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzamide
CID 60631710
1-[2-[2-(hydroxymethyl)piperidin-1-yl]-5-nitrophenyl]ethanone
CID 62873749
2-fluoro-3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-6-nitrobenzonitrile
CID 171095693

Frequently Asked Questions

What is the IUPAC name of [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol (CID 114988278) is [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol is O=[N+]([O-])c1[nH]ncc1N1CCCCC1CO.
What is the InChIKey of [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol?
The InChIKey is ISVMJQZTHAVPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-6-7-3-1-2-4-12(7)8-5-10-11-9(8)13(15)16/h5,7,14H,1-4,6H2,(H,10,11).
What are the key properties of [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol?
[1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 114988278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).