2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C8H7N5O3S — CID 1256222

IUPAC2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1nccs1
InChIInChI=1S/C8H7N5O3S/c14-7(11-8-9-1-2-17-8)5-12-4-6(3-10-12)13(15)16/h1-4H,5H2,(H,9,11,14)
InChIKeySOEBLASTXFRRJC-UHFFFAOYSA-N
MW253.24 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1256222) has the molecular formula C8H7N5O3S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1256222
Molecular FormulaC8H7N5O3S
Molecular Weight253.24 g/mol
Exact Mass253.03
IUPAC Name2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1nccs1
InChIInChI=1S/C8H7N5O3S/c14-7(11-8-9-1-2-17-8)5-12-4-6(3-10-12)13(15)16/h1-4H,5H2,(H,9,11,14)
InChIKeySOEBLASTXFRRJC-UHFFFAOYSA-N
XLogP0.89
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.89
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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Related Compounds

2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1258327
3-(3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4766010
2-(3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1258799
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1259355
4-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 1256469
2-(3-nitropyrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 87016975
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine
CID 122150669
N-[2-(4-nitropyrazol-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133383788
2-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4916121
N-(5-methylthiazol-2-yl)-2-(1H-pyrazol-1-yl)acetamide
CID 39723411
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 842817
1H-Pyrazole-1-acetamide, 4-iodo-N-(2-thiazolyl)-
CID 1511407

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 1256222) is 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nccs1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SOEBLASTXFRRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3S/c14-7(11-8-9-1-2-17-8)5-12-4-6(3-10-12)13(15)16/h1-4H,5H2,(H,9,11,14).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 253.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1256222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).