2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol

C8H14N4O3 — CID 90010714

IUPAC2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol
SMILESCC(c1[nH]ncc1[N+](=O)[O-])N(C)CCO
InChIInChI=1S/C8H14N4O3/c1-6(11(2)3-4-13)8-7(12(14)15)5-9-10-8/h5-6,13H,3-4H2,1-2H3,(H,9,10)
InChIKeyJBNFGAQLVXLQIR-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.30
Rot. Bonds5

About 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol

2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol (PubChem CID 90010714) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol
PubChem CID90010714
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol
SMILESCC(c1[nH]ncc1[N+](=O)[O-])N(C)CCO
InChIInChI=1S/C8H14N4O3/c1-6(11(2)3-4-13)8-7(12(14)15)5-9-10-8/h5-6,13H,3-4H2,1-2H3,(H,9,10)
InChIKeyJBNFGAQLVXLQIR-UHFFFAOYSA-N
XLogP0.30
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol
CID 71348331
4-nitro-5-pentan-2-yl-1H-pyrazole
CID 165474911
2-[methyl-[1-(4-methyl-1H-pyrazol-5-yl)ethyl]amino]acetic acid
CID 82398910
N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine
CID 118096232
3-[(5-nitro-1H-pyrazol-4-yl)-propan-2-ylamino]propan-1-ol
CID 114988516
N,N-dimethyl-2-[(5-nitro-1H-indazol-6-yl)oxy]ethanamine
CID 118096113
(E)-3-(dimethylamino)-1-(4-nitro-1H-pyrazol-5-yl)prop-2-en-1-one
CID 59376364
5-chloro-4-nitro-1H-pyrazole
CID 18769507
tert-butyl N-[3-amino-2-(4-nitro-1H-pyrazol-5-yl)propyl]carbamate
CID 164663900
5-(cyclopropylmethyl)-4-nitro-1H-pyrazole
CID 67449759
4-(2-methoxypropyl)-5-nitro-1H-indazole
CID 174745244
4-hydroxy-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzenesulfonamide
CID 60961659

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol (CID 90010714) is 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol is CC(c1[nH]ncc1[N+](=O)[O-])N(C)CCO.
What is the InChIKey of 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol?
The InChIKey is JBNFGAQLVXLQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-6(11(2)3-4-13)8-7(12(14)15)5-9-10-8/h5-6,13H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol?
2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol has a molecular weight of 214.22 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol is sourced from PubChem (CID 90010714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).