N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide

C9H8N4O3S — CID 16796460

IUPACN-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide
SMILESCn1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1
InChIInChI=1S/C9H8N4O3S/c1-12-5-4-7(11-12)10-9(14)6-2-3-8(17-6)13(15)16/h2-5H,1H3,(H,10,11,14)
InChIKeyGVSQKXPGKTUAFP-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.64
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide

N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide (PubChem CID 16796460) has the molecular formula C9H8N4O3S and a molecular weight of 252.25 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide
PubChem CID16796460
Molecular FormulaC9H8N4O3S
Molecular Weight252.25 g/mol
Exact Mass252.03
IUPAC NameN-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide
SMILESCn1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1
InChIInChI=1S/C9H8N4O3S/c1-12-5-4-7(11-12)10-9(14)6-2-3-8(17-6)13(15)16/h2-5H,1H3,(H,10,11,14)
InChIKeyGVSQKXPGKTUAFP-UHFFFAOYSA-N
XLogP1.64
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
4-chloro-N-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803711
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-nitrothiophene-2-carboxamide
CID 124607290
N-(4-methyl-1H-pyrazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 112691284
2-ethyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47426149
N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 16962879
5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 112690383
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 114033605
2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide
CID 16962880
N-(3-methyl-1,2-oxazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 45284591
ethane;N-(3-hydroxy-4-pyridinyl)-5-nitrothiophene-2-carboxamide
CID 143408110

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide (CID 16796460) is N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide is Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide?
The InChIKey is GVSQKXPGKTUAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3S/c1-12-5-4-7(11-12)10-9(14)6-2-3-8(17-6)13(15)16/h2-5H,1H3,(H,10,11,14).
What are the key properties of N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide?
N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide has a molecular weight of 252.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 16796460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).