5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

C14H12N4O2S — CID 62502378

IUPAC5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1cccc([N+](=O)[O-])c1-c1[nH]nc(N)c1-c1cccs1
InChIInChI=1S/C14H12N4O2S/c1-8-4-2-5-9(18(19)20)11(8)13-12(14(15)17-16-13)10-6-3-7-21-10/h2-7H,1H3,(H3,15,16,17)
InChIKeyFSYOIWXHSIJYOE-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.60
Rot. Bonds3

About 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 62502378) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID62502378
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1cccc([N+](=O)[O-])c1-c1[nH]nc(N)c1-c1cccs1
InChIInChI=1S/C14H12N4O2S/c1-8-4-2-5-9(18(19)20)11(8)13-12(14(15)17-16-13)10-6-3-7-21-10/h2-7H,1H3,(H3,15,16,17)
InChIKeyFSYOIWXHSIJYOE-UHFFFAOYSA-N
XLogP3.60
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.60
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 62502378) is 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Cc1cccc([N+](=O)[O-])c1-c1[nH]nc(N)c1-c1cccs1.
What is the InChIKey of 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is FSYOIWXHSIJYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-4-2-5-9(18(19)20)11(8)13-12(14(15)17-16-13)10-6-3-7-21-10/h2-7H,1H3,(H3,15,16,17).
What are the key properties of 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 300.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 62502378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).