4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide

C10H10N6O5S — CID 5296250

IUPAC4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H10N6O5S/c17-8(13-10-11-5-9(22-10)16(20)21)2-1-3-14-6-7(4-12-14)15(18)19/h4-6H,1-3H2,(H,11,13,17)
InChIKeyUEIOIOKMTJKOHQ-UHFFFAOYSA-N
MW326.29 g/mol
LogP1.57
Rot. Bonds7

About 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide

4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide (PubChem CID 5296250) has the molecular formula C10H10N6O5S and a molecular weight of 326.29 g/mol. Its IUPAC name is 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
PubChem CID5296250
Molecular FormulaC10H10N6O5S
Molecular Weight326.29 g/mol
Exact Mass326.04
IUPAC Name4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H10N6O5S/c17-8(13-10-11-5-9(22-10)16(20)21)2-1-3-14-6-7(4-12-14)15(18)19/h4-6H,1-3H2,(H,11,13,17)
InChIKeyUEIOIOKMTJKOHQ-UHFFFAOYSA-N
XLogP1.57
TPSA146.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide (CID 5296250) is 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide is O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide?
The InChIKey is UEIOIOKMTJKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O5S/c17-8(13-10-11-5-9(22-10)16(20)21)2-1-3-14-6-7(4-12-14)15(18)19/h4-6H,1-3H2,(H,11,13,17).
What are the key properties of 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide?
4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide has a molecular weight of 326.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitropyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 5296250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).