1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine

C13H10N4O2S — CID 43381256

IUPAC1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N4O2S/c14-13-8-11(12-2-1-7-20-12)15-16(13)9-3-5-10(6-4-9)17(18)19/h1-8H,14H2
InChIKeyGTCXBTBOTCIWPX-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine

1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 43381256) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine
PubChem CID43381256
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N4O2S/c14-13-8-11(12-2-1-7-20-12)15-16(13)9-3-5-10(6-4-9)17(18)19/h1-8H,14H2
InChIKeyGTCXBTBOTCIWPX-UHFFFAOYSA-N
XLogP3.09
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.09
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

3-(4-nitrophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
CID 102358360
ethyl 5-amino-1-(4-nitrophenyl)-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2816186
2-[(4-nitrophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659585
2-(4-nitrophenyl)thiophene
CID 609512
3-(2,2-dimethylpropyl)-1-(4-nitrophenyl)pyrazol-5-amine
CID 61212313
5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
CID 50999869
1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine
CID 43381316
1-(3-nitrophenyl)-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762114
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-nitrophenyl)acetamide
CID 136605218
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
N-hexyl-1-(3-nitrophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3650127

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine (CID 43381256) is 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine is Nc1cc(-c2cccs2)nn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is GTCXBTBOTCIWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-13-8-11(12-2-1-7-20-12)15-16(13)9-3-5-10(6-4-9)17(18)19/h1-8H,14H2.
What are the key properties of 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine?
1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 286.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 43381256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).