2-amino-4-nitrophenol;1H-pyrazole

C9H10N4O3 — CID 174791393

IUPAC2-amino-4-nitrophenol;1H-pyrazole
SMILESNc1cc([N+](=O)[O-])ccc1O.c1cn[nH]c1
InChIInChI=1S/C6H6N2O3.C3H4N2/c7-5-3-4(8(10)11)1-2-6(5)9;1-2-4-5-3-1/h1-3,9H,7H2;1-3H,(H,4,5)
InChIKeyJGUVEZMSZZNPEL-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.29
Rot. Bonds1

About 2-amino-4-nitrophenol;1H-pyrazole

2-amino-4-nitrophenol;1H-pyrazole (PubChem CID 174791393) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-amino-4-nitrophenol;1H-pyrazole.

Molecular Properties

Compound Name2-amino-4-nitrophenol;1H-pyrazole
PubChem CID174791393
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-amino-4-nitrophenol;1H-pyrazole
SMILESNc1cc([N+](=O)[O-])ccc1O.c1cn[nH]c1
InChIInChI=1S/C6H6N2O3.C3H4N2/c7-5-3-4(8(10)11)1-2-6(5)9;1-2-4-5-3-1/h1-3,9H,7H2;1-3H,(H,4,5)
InChIKeyJGUVEZMSZZNPEL-UHFFFAOYSA-N
XLogP1.29
TPSA118.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-amino-4-nitrophenol;ethanol
CID 174857010
azane;2,4-dinitrophenol;hydrate
CID 174664401
bis((2-amino-4-nitrophenyl)azanium) dichloride
CID 139061859
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
2,4-dinitrophenol;2H-tetrazole
CID 154637642
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
1-(2-amino-5-nitrophenyl)ethane-1,2-diol
CID 11321550
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
2-(aminomethyl)-4-nitrophenol
CID 2115073
2,4-dinitroaniline;sulfuric acid
CID 174852217
4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol
CID 3812937

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-nitrophenol;1H-pyrazole?
The IUPAC name of 2-amino-4-nitrophenol;1H-pyrazole (CID 174791393) is 2-amino-4-nitrophenol;1H-pyrazole.
What is the SMILES notation for 2-amino-4-nitrophenol;1H-pyrazole?
The canonical SMILES for 2-amino-4-nitrophenol;1H-pyrazole is Nc1cc([N+](=O)[O-])ccc1O.c1cn[nH]c1.
What is the InChIKey of 2-amino-4-nitrophenol;1H-pyrazole?
The InChIKey is JGUVEZMSZZNPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.C3H4N2/c7-5-3-4(8(10)11)1-2-6(5)9;1-2-4-5-3-1/h1-3,9H,7H2;1-3H,(H,4,5).
What are the key properties of 2-amino-4-nitrophenol;1H-pyrazole?
2-amino-4-nitrophenol;1H-pyrazole has a molecular weight of 222.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-nitrophenol;1H-pyrazole is sourced from PubChem (CID 174791393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).