2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol

C12H22N4O3 — CID 66028416

IUPAC2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1c([N+](=O)[O-])c(C)nn1CCC
InChIInChI=1S/C12H22N4O3/c1-4-6-14(8-9-17)12-11(16(18)19)10(3)13-15(12)7-5-2/h17H,4-9H2,1-3H3
InChIKeyHRIFGLMPOSPXOQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.72
Rot. Bonds8

About 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol

2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol (PubChem CID 66028416) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol
PubChem CID66028416
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1c([N+](=O)[O-])c(C)nn1CCC
InChIInChI=1S/C12H22N4O3/c1-4-6-14(8-9-17)12-11(16(18)19)10(3)13-15(12)7-5-2/h17H,4-9H2,1-3H3
InChIKeyHRIFGLMPOSPXOQ-UHFFFAOYSA-N
XLogP1.72
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.72
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-[butyl-(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]ethanol
CID 66028607
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 61448439
3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propan-2-ylamino]propan-1-ol
CID 66028026
3-[ethyl-(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanenitrile
CID 66012520
3-[ethyl-(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]butanoic acid
CID 66012315
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol
CID 66011281
5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 61425045
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655946
N',2,2-trimethyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)propane-1,3-diamine
CID 79659885
5-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-methylamino]pentan-1-ol
CID 107203493
ethyl 3-methyl-4-nitro-1-propylpyrazole-5-carboxylate
CID 71650999
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
CID 66013849

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol?
The IUPAC name of 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol (CID 66028416) is 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol is CCCN(CCO)c1c([N+](=O)[O-])c(C)nn1CCC.
What is the InChIKey of 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol?
The InChIKey is HRIFGLMPOSPXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-6-14(8-9-17)12-11(16(18)19)10(3)13-15(12)7-5-2/h17H,4-9H2,1-3H3.
What are the key properties of 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol?
2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol has a molecular weight of 270.33 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol is sourced from PubChem (CID 66028416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).