[3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol

C9H13N3O3 — CID 135374285

IUPAC[3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol
SMILESCc1c([N+](=O)[O-])cnn1C1CC(CO)C1
InChIInChI=1S/C9H13N3O3/c1-6-9(12(14)15)4-10-11(6)8-2-7(3-8)5-13/h4,7-8,13H,2-3,5H2,1H3
InChIKeyWNEMMVLTABLOAW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.04
Rot. Bonds3

About [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol

[3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol (PubChem CID 135374285) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol
PubChem CID135374285
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name[3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol
SMILESCc1c([N+](=O)[O-])cnn1C1CC(CO)C1
InChIInChI=1S/C9H13N3O3/c1-6-9(12(14)15)4-10-11(6)8-2-7(3-8)5-13/h4,7-8,13H,2-3,5H2,1H3
InChIKeyWNEMMVLTABLOAW-UHFFFAOYSA-N
XLogP1.04
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.04
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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Related Compounds

methyl 3-(5-methyl-4-nitropyrazol-1-yl)cyclobutane-1-carboxylate
CID 135374496
3-(5-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 135374406
1-methyl-5-[3-(5-methyl-4-nitropyrazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-1,2,4-triazole
CID 135374471
(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 140765908
3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine
CID 118288742
tert-butyl (3S)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 118288867
5-methyl-4-nitro-1-(oxetan-3-ylmethyl)pyrazole
CID 118288854
5-methyl-4-nitropyrazole-1-carboxylic acid
CID 90039126
5-methyl-4-nitro-1-(oxan-4-ylmethyl)pyrazole
CID 153281740
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
tert-butyl formate;(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine
CID 174819152
tert-butyl 3-hydroxy-4-(5-methyl-4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate
CID 118288729

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol?
The IUPAC name of [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol (CID 135374285) is [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol.
What is the SMILES notation for [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol?
The canonical SMILES for [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol is Cc1c([N+](=O)[O-])cnn1C1CC(CO)C1.
What is the InChIKey of [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol?
The InChIKey is WNEMMVLTABLOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-9(12(14)15)4-10-11(6)8-2-7(3-8)5-13/h4,7-8,13H,2-3,5H2,1H3.
What are the key properties of [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol?
[3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol has a molecular weight of 211.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol is sourced from PubChem (CID 135374285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).