2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol

C11H20N4O3 — CID 61448439

IUPAC2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
SMILESCCCCN(CCO)c1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C11H20N4O3/c1-4-5-6-14(7-8-16)11-10(15(17)18)9(2)12-13(11)3/h16H,4-8H2,1-3H3
InChIKeyPOEOOTQTNKNCPW-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.24
Rot. Bonds7

About 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol

2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol (PubChem CID 61448439) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
PubChem CID61448439
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
SMILESCCCCN(CCO)c1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C11H20N4O3/c1-4-5-6-14(7-8-16)11-10(15(17)18)9(2)12-13(11)3/h16H,4-8H2,1-3H3
InChIKeyPOEOOTQTNKNCPW-UHFFFAOYSA-N
XLogP1.24
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.24
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-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propylamino]ethanol
CID 66028416
N-butyl-1,3-dimethyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrazol-5-amine
CID 106620321
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
CID 66013849
5-[butyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63756528
methyl 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957493
3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)-propan-2-ylamino]propan-1-ol
CID 66028026
2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 61447056
5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 61425045
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484493
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
CID 62686664
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol?
The IUPAC name of 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol (CID 61448439) is 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol is CCCCN(CCO)c1c([N+](=O)[O-])c(C)nn1C.
What is the InChIKey of 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol?
The InChIKey is POEOOTQTNKNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-5-6-14(7-8-16)11-10(15(17)18)9(2)12-13(11)3/h16H,4-8H2,1-3H3.
What are the key properties of 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol?
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol has a molecular weight of 256.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol is sourced from PubChem (CID 61448439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).