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

C8H7N5O3S — CID 1220591

IUPAC1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCn1ncc([N+](=O)[O-])c1C(=O)Nc1nccs1
InChIInChI=1S/C8H7N5O3S/c1-12-6(5(4-10-12)13(15)16)7(14)11-8-9-2-3-17-8/h2-4H,1H3,(H,9,11,14)
InChIKeyANMCEFNNAFUIBR-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.04
Rot. Bonds3

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

1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 1220591) has the molecular formula C8H7N5O3S and a molecular weight of 253.24 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID1220591
Molecular FormulaC8H7N5O3S
Molecular Weight253.24 g/mol
Exact Mass253.03
IUPAC Name1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCn1ncc([N+](=O)[O-])c1C(=O)Nc1nccs1
InChIInChI=1S/C8H7N5O3S/c1-12-6(5(4-10-12)13(15)16)7(14)11-8-9-2-3-17-8/h2-4H,1H3,(H,9,11,14)
InChIKeyANMCEFNNAFUIBR-UHFFFAOYSA-N
XLogP1.04
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.04
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 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 1220591) is 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide is Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nccs1.
What is the InChIKey of 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is ANMCEFNNAFUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3S/c1-12-6(5(4-10-12)13(15)16)7(14)11-8-9-2-3-17-8/h2-4H,1H3,(H,9,11,14).
What are the key properties of 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide?
1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 253.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 1220591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).