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

C9H9N5O3S — CID 844706

IUPAC1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])s1
InChIInChI=1S/C9H9N5O3S/c1-5-3-10-9(18-5)11-8(15)7-6(14(16)17)4-13(2)12-7/h3-4H,1-2H3,(H,10,11,15)
InChIKeyWTJFGFYUXFBAFA-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.35
Rot. Bonds3

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

1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide (PubChem CID 844706) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
PubChem CID844706
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])s1
InChIInChI=1S/C9H9N5O3S/c1-5-3-10-9(18-5)11-8(15)7-6(14(16)17)4-13(2)12-7/h3-4H,1-2H3,(H,10,11,15)
InChIKeyWTJFGFYUXFBAFA-UHFFFAOYSA-N
XLogP1.35
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.35
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

1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264018
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 51889946
1-methyl-4-nitro-N-propan-2-ylpyrazole-3-carboxamide
CID 19263922
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 167906110
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 5068246
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021
2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]acetic acid
CID 1204533
1-methyl-4-nitro-N-propylpyrazole-3-carboxamide
CID 4592977
propan-2-yl 4,5-dimethyl-2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 19577993
3-chloro-4-(methylamino)-N-(5-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 62165491

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide (CID 844706) is 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide is Cc1cnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])s1.
What is the InChIKey of 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The InChIKey is WTJFGFYUXFBAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c1-5-3-10-9(18-5)11-8(15)7-6(14(16)17)4-13(2)12-7/h3-4H,1-2H3,(H,10,11,15).
What are the key properties of 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide?
1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide has a molecular weight of 267.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 844706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).