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

C10H11N5O3S — CID 1256469

IUPAC4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCn1cc([N+](=O)[O-])cn1)Nc1nccs1
InChIInChI=1S/C10H11N5O3S/c16-9(13-10-11-3-5-19-10)2-1-4-14-7-8(6-12-14)15(17)18/h3,5-7H,1-2,4H2,(H,11,13,16)
InChIKeyKVVDIWYXZSLEDI-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.67
Rot. Bonds6

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

4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 1256469) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID1256469
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCn1cc([N+](=O)[O-])cn1)Nc1nccs1
InChIInChI=1S/C10H11N5O3S/c16-9(13-10-11-3-5-19-10)2-1-4-14-7-8(6-12-14)15(17)18/h3,5-7H,1-2,4H2,(H,11,13,16)
InChIKeyKVVDIWYXZSLEDI-UHFFFAOYSA-N
XLogP1.67
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.67
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'}

Analyze 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1258327
1-Methyl-4-nitro-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 1220107
2-(4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1256222
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylbutanamide
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
(3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
CID 92707943
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
5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide
CID 167939190
2-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4916121
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 842817

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide (CID 1256469) is 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide is O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1nccs1.
What is the InChIKey of 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is KVVDIWYXZSLEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c16-9(13-10-11-3-5-19-10)2-1-4-14-7-8(6-12-14)15(17)18/h3,5-7H,1-2,4H2,(H,11,13,16).
What are the key properties of 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide?
4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 281.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 1256469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).