2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol

C10H16N4O3 — CID 142395517

IUPAC2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CC(n2cc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C10H16N4O3/c1-10(2,15)7-12-4-9(5-12)13-6-8(3-11-13)14(16)17/h3,6,9,15H,4-5,7H2,1-2H3
InChIKeyLFRCZJUUHVGKFF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.42
Rot. Bonds4

About 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol

2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol (PubChem CID 142395517) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol
PubChem CID142395517
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CC(n2cc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C10H16N4O3/c1-10(2,15)7-12-4-9(5-12)13-6-8(3-11-13)14(16)17/h3,6,9,15H,4-5,7H2,1-2H3
InChIKeyLFRCZJUUHVGKFF-UHFFFAOYSA-N
XLogP0.42
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.42
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-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
CID 155280191
tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;ethane
CID 156721962
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 56777238
4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
CID 175357938
tert-butyl 4-[4-(4-nitropyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 177197342
N-methyl-3-(4-nitropyrazol-1-yl)cycloheptan-1-amine
CID 121419975
tert-butyl 3-(4-nitropyrazol-1-yl)-4-oxopiperidine-1-carboxylate
CID 118288827
(2R,6R)-1-benzyl-2,6-dimethyl-4-(4-nitropyrazol-1-yl)piperidine
CID 165161671
4-(4-nitropyrazol-1-yl)pyrrolidin-3-ol
CID 63705005
methyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 124527649
triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane
CID 170994278
1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole
CID 153285823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol (CID 142395517) is 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol is CC(C)(O)CN1CC(n2cc([N+](=O)[O-])cn2)C1.
What is the InChIKey of 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol?
The InChIKey is LFRCZJUUHVGKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,15)7-12-4-9(5-12)13-6-8(3-11-13)14(16)17/h3,6,9,15H,4-5,7H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol?
2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol has a molecular weight of 240.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol is sourced from PubChem (CID 142395517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).