3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol

C10H16N4O3 — CID 66011060

IUPAC3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC1CC(O)C1
InChIInChI=1S/C10H16N4O3/c1-3-13-10(11-7-4-8(15)5-7)9(14(16)17)6(2)12-13/h7-8,11,15H,3-5H2,1-2H3
InChIKeyZAQUEYMWYCABJF-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.05
Rot. Bonds4

About 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol

3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol (PubChem CID 66011060) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol
PubChem CID66011060
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC1CC(O)C1
InChIInChI=1S/C10H16N4O3/c1-3-13-10(11-7-4-8(15)5-7)9(14(16)17)6(2)12-13/h7-8,11,15H,3-5H2,1-2H3
InChIKeyZAQUEYMWYCABJF-UHFFFAOYSA-N
XLogP1.05
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
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

N-cyclohexyl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66012574
1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66010827
1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
CID 66011038
4-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 66013550
1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine
CID 66012434
2-[[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 66013598
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propane-1,3-diol
CID 66012422
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66012841
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66013367
4-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249327
N-(1,1-dioxothian-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66011549
N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66013610

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol (CID 66011060) is 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol is CCn1nc(C)c([N+](=O)[O-])c1NC1CC(O)C1.
What is the InChIKey of 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol?
The InChIKey is ZAQUEYMWYCABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-13-10(11-7-4-8(15)5-7)9(14(16)17)6(2)12-13/h7-8,11,15H,3-5H2,1-2H3.
What are the key properties of 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol?
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol has a molecular weight of 240.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 66011060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).