1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide

C10H11N5O3S — CID 5202362

IUPAC1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide
SMILESCc1csc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1
InChIInChI=1S/C10H11N5O3S/c1-5-4-19-10(11-5)12-9(16)8-7(15(17)18)6(2)13-14(8)3/h4H,1-3H3,(H,11,12,16)
InChIKeyQTWADUZJYCYOCY-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.65
Rot. Bonds3

About 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide

1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide (PubChem CID 5202362) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide
PubChem CID5202362
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide
SMILESCc1csc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1
InChIInChI=1S/C10H11N5O3S/c1-5-4-19-10(11-5)12-9(16)8-7(15(17)18)6(2)13-14(8)3/h4H,1-3H3,(H,11,12,16)
InChIKeyQTWADUZJYCYOCY-UHFFFAOYSA-N
XLogP1.65
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.65
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 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide (CID 5202362) is 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide is Cc1csc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1.
What is the InChIKey of 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide?
The InChIKey is QTWADUZJYCYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-5-4-19-10(11-5)12-9(16)8-7(15(17)18)6(2)13-14(8)3/h4H,1-3H3,(H,11,12,16).
What are the key properties of 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide?
1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 5202362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).