1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol

C11H13N5O3 — CID 133323532

IUPAC1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
SMILESCn1cc(C(O)CNc2ncccc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H13N5O3/c1-15-7-8(5-14-15)10(17)6-13-11-9(16(18)19)3-2-4-12-11/h2-5,7,10,17H,6H2,1H3,(H,12,13)
InChIKeyAREUSKRHRUBYRX-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.87
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol

1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 133323532) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
PubChem CID133323532
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
SMILESCn1cc(C(O)CNc2ncccc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H13N5O3/c1-15-7-8(5-14-15)10(17)6-13-11-9(16(18)19)3-2-4-12-11/h2-5,7,10,17H,6H2,1H3,(H,12,13)
InChIKeyAREUSKRHRUBYRX-UHFFFAOYSA-N
XLogP0.87
TPSA106.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol (CID 133323532) is 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol is Cn1cc(C(O)CNc2ncccc2[N+](=O)[O-])cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is AREUSKRHRUBYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-15-7-8(5-14-15)10(17)6-13-11-9(16(18)19)3-2-4-12-11/h2-5,7,10,17H,6H2,1H3,(H,12,13).
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol?
1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 263.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 133323532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).