2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol

C10H16N4O3 — CID 111565161

IUPAC2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O3/c1-2-3-12(6-7-15)4-5-13-9-10(8-11-13)14(16)17/h2,8-9,15H,1,3-7H2
InChIKeyXNAZTYIKBIBPPB-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.27
Rot. Bonds8

About 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol

2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol (PubChem CID 111565161) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol
PubChem CID111565161
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O3/c1-2-3-12(6-7-15)4-5-13-9-10(8-11-13)14(16)17/h2,8-9,15H,1,3-7H2
InChIKeyXNAZTYIKBIBPPB-UHFFFAOYSA-N
XLogP0.27
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-nitropyrazol-1-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79264763
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
1-(2-but-3-enylsulfanylethyl)-4-nitropyrazole
CID 75386213
N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872506
1-butyl-4-nitropyrazole
CID 50999673
2-[(3-nitrophenyl)methyl-prop-2-enylamino]ethanol
CID 111423236
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
3-ethyl-1-methyl-2-[2-(4-nitropyrazol-1-yl)ethyl]-1-pent-4-enylguanidine
CID 109497906
(2R)-1-[cyclohexyl(2-hydroxyethyl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 97010459
4-nitro-1-octylpyrazole
CID 50999936
3-[2-(4-nitropyrazol-1-yl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799426
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol (CID 111565161) is 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol is C=CCN(CCO)CCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol?
The InChIKey is XNAZTYIKBIBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-3-12(6-7-15)4-5-13-9-10(8-11-13)14(16)17/h2,8-9,15H,1,3-7H2.
What are the key properties of 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol?
2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol has a molecular weight of 240.26 g/mol, XLogP of 0.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitropyrazol-1-yl)ethyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 111565161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).