3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C9H9N5O3S — CID 4766010

IUPAC3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1ccc([N+](=O)[O-])n1)Nc1nccs1
InChIInChI=1S/C9H9N5O3S/c15-8(11-9-10-3-6-18-9)2-5-13-4-1-7(12-13)14(16)17/h1,3-4,6H,2,5H2,(H,10,11,15)
InChIKeyGJWBNISBTILJPW-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.28
Rot. Bonds5

About 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4766010) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4766010
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1ccc([N+](=O)[O-])n1)Nc1nccs1
InChIInChI=1S/C9H9N5O3S/c15-8(11-9-10-3-6-18-9)2-5-13-4-1-7(12-13)14(16)17/h1,3-4,6H,2,5H2,(H,10,11,15)
InChIKeyGJWBNISBTILJPW-UHFFFAOYSA-N
XLogP1.28
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 4766010) is 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCn1ccc([N+](=O)[O-])n1)Nc1nccs1.
What is the InChIKey of 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GJWBNISBTILJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c15-8(11-9-10-3-6-18-9)2-5-13-4-1-7(12-13)14(16)17/h1,3-4,6H,2,5H2,(H,10,11,15).
What are the key properties of 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 267.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4766010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).