3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine

C10H12N4O2S — CID 75398508

IUPAC3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine
SMILESCC(Cn1cccn1)Nc1sccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O2S/c1-8(7-13-5-2-4-11-13)12-10-9(14(15)16)3-6-17-10/h2-6,8,12H,7H2,1H3
InChIKeyRLYRLWXSKWCQHS-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.35
Rot. Bonds5

About 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine

3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine (PubChem CID 75398508) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine
PubChem CID75398508
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine
SMILESCC(Cn1cccn1)Nc1sccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O2S/c1-8(7-13-5-2-4-11-13)12-10-9(14(15)16)3-6-17-10/h2-6,8,12H,7H2,1H3
InChIKeyRLYRLWXSKWCQHS-UHFFFAOYSA-N
XLogP2.35
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine?
The IUPAC name of 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine (CID 75398508) is 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine.
What is the SMILES notation for 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine?
The canonical SMILES for 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine is CC(Cn1cccn1)Nc1sccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine?
The InChIKey is RLYRLWXSKWCQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-8(7-13-5-2-4-11-13)12-10-9(14(15)16)3-6-17-10/h2-6,8,12H,7H2,1H3.
What are the key properties of 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine?
3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine has a molecular weight of 252.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)thiophen-2-amine is sourced from PubChem (CID 75398508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).