[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol

C8H12N4O3 — CID 103080430

IUPAC[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol
SMILESCn1cc([N+](=O)[O-])c(N2CC(CO)C2)n1
InChIInChI=1S/C8H12N4O3/c1-10-4-7(12(14)15)8(9-10)11-2-6(3-11)5-13/h4,6,13H,2-3,5H2,1H3
InChIKeyOCTNINBNZWXHHU-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.24
Rot. Bonds3

About [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol

[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol (PubChem CID 103080430) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol
PubChem CID103080430
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol
SMILESCn1cc([N+](=O)[O-])c(N2CC(CO)C2)n1
InChIInChI=1S/C8H12N4O3/c1-10-4-7(12(14)15)8(9-10)11-2-6(3-11)5-13/h4,6,13H,2-3,5H2,1H3
InChIKeyOCTNINBNZWXHHU-UHFFFAOYSA-N
XLogP-0.24
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.24
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

2-[4-(1-methyl-4-nitropyrazol-3-yl)piperazin-1-yl]acetic acid
CID 103079255
methyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-3-carboxylate
CID 103080510
ethyl 1-(1-methyl-4-nitropyrazol-3-yl)piperidine-4-carboxylate
CID 103080492
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
[1-(2-methyl-5-nitroindazol-6-yl)piperidin-3-yl]methanol
CID 118226395
8-(1-methyl-4-nitropyrazol-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103080219
1-(1-methyl-4-nitropyrazol-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 103079316
[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
CID 103080353
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 81137665
ethyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-2-carboxylate
CID 103080502
[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol
CID 106750084
3-(1-methyl-4-nitropyrazol-3-yl)-1,3-oxazolidine-2-carbaldehyde
CID 174813565

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol?
The IUPAC name of [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol (CID 103080430) is [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol is Cn1cc([N+](=O)[O-])c(N2CC(CO)C2)n1.
What is the InChIKey of [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol?
The InChIKey is OCTNINBNZWXHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-10-4-7(12(14)15)8(9-10)11-2-6(3-11)5-13/h4,6,13H,2-3,5H2,1H3.
What are the key properties of [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol?
[1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol has a molecular weight of 212.21 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-yl]methanol is sourced from PubChem (CID 103080430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).