3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol

C12H11FN4O3 — CID 122638557

IUPAC3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol
SMILESO=[N+]([O-])c1cn(C2CC(O)C2)nc1-c1ncccc1F
InChIInChI=1S/C12H11FN4O3/c13-9-2-1-3-14-11(9)12-10(17(19)20)6-16(15-12)7-4-8(18)5-7/h1-3,6-8,18H,4-5H2
InChIKeyVCSRNALUTWIBAF-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.69
Rot. Bonds3

About 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol

3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol (PubChem CID 122638557) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol
PubChem CID122638557
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol
SMILESO=[N+]([O-])c1cn(C2CC(O)C2)nc1-c1ncccc1F
InChIInChI=1S/C12H11FN4O3/c13-9-2-1-3-14-11(9)12-10(17(19)20)6-16(15-12)7-4-8(18)5-7/h1-3,6-8,18H,4-5H2
InChIKeyVCSRNALUTWIBAF-UHFFFAOYSA-N
XLogP1.69
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.69
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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Related Compounds

1-(3-ethoxycyclobutyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-amine;2-[1-(3-ethoxycyclobutyl)-4-nitropyrazol-3-yl]-3-fluoropyridine
CID 161046981
3-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]cyclobutan-1-ol
CID 122638755
2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol
CID 145176619
2-[1-(3-ethoxycyclobutyl)-4-nitrosopyrazol-3-yl]-3-fluoropyridine
CID 138649623
2-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-nitropyrazol-3-yl]pyridine
CID 122638524
3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164841
5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol
CID 66053376
8-(2-nitrophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763356
(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63762184
1-cyclopent-3-en-1-yl-3-(difluoromethyl)-4-nitropyrazole
CID 172586980
1-[1-(3-nitro-2-pyridinyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310369
3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 135374315

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol?
The IUPAC name of 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol (CID 122638557) is 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol is O=[N+]([O-])c1cn(C2CC(O)C2)nc1-c1ncccc1F.
What is the InChIKey of 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol?
The InChIKey is VCSRNALUTWIBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c13-9-2-1-3-14-11(9)12-10(17(19)20)6-16(15-12)7-4-8(18)5-7/h1-3,6-8,18H,4-5H2.
What are the key properties of 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol?
3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol has a molecular weight of 278.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-2-pyridinyl)-4-nitropyrazol-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 122638557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).