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

C9H9N5O3S — CID 4916121

IUPAC2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H9N5O3S/c1-6(8(15)12-9-10-2-3-18-9)13-5-7(4-11-13)14(16)17/h2-6H,1H3,(H,10,12,15)
InChIKeyNGWOGGCTMMYEEF-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.45
Rot. Bonds4

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

2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4916121) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4916121
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H9N5O3S/c1-6(8(15)12-9-10-2-3-18-9)13-5-7(4-11-13)14(16)17/h2-6H,1H3,(H,10,12,15)
InChIKeyNGWOGGCTMMYEEF-UHFFFAOYSA-N
XLogP1.45
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.45
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-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 1258327
2-(4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1256222
4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 1511627
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-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 1259355
4-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 1256469
US20240174679, Example 4-12
CID 165130067
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine
CID 122150669
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)propanamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 4916121) is 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NGWOGGCTMMYEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c1-6(8(15)12-9-10-2-3-18-9)13-5-7(4-11-13)14(16)17/h2-6H,1H3,(H,10,12,15).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 267.27 g/mol, XLogP of 1.45, 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)propanamide is sourced from PubChem (CID 4916121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).