2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol

C13H24N4O3 — CID 66011281

IUPAC2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1c([N+](=O)[O-])c(C)nn1CC
InChIInChI=1S/C13H24N4O3/c1-5-11(6-2)15(8-9-18)13-12(17(19)20)10(4)14-16(13)7-3/h11,18H,5-9H2,1-4H3
InChIKeyIFCIMFZQGLBASN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.11
Rot. Bonds8

About 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol

2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol (PubChem CID 66011281) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol
PubChem CID66011281
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1c([N+](=O)[O-])c(C)nn1CC
InChIInChI=1S/C13H24N4O3/c1-5-11(6-2)15(8-9-18)13-12(17(19)20)10(4)14-16(13)7-3/h11,18H,5-9H2,1-4H3
InChIKeyIFCIMFZQGLBASN-UHFFFAOYSA-N
XLogP2.11
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.11
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-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
CID 130557665
5-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-methylamino]pentan-1-ol
CID 107203493
3-[ethyl-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]butanoic acid
CID 66012570
2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol
CID 66028416
3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propan-2-ylamino]propan-1-ol
CID 66028026
2-[butyl-(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]ethanol
CID 66028607
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 61448439
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]propane-1,3-diol
CID 66012422
3-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)sulfanylbutan-1-ol
CID 66136094
1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine
CID 66013026
3-[ethyl-(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]butanoic acid
CID 66012315

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol (CID 66011281) is 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1c([N+](=O)[O-])c(C)nn1CC.
What is the InChIKey of 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol?
The InChIKey is IFCIMFZQGLBASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-5-11(6-2)15(8-9-18)13-12(17(19)20)10(4)14-16(13)7-3/h11,18H,5-9H2,1-4H3.
What are the key properties of 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol?
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol has a molecular weight of 284.36 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 66011281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).