3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C19H16N6O4S — CID 43987628

IUPAC3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C19H16N6O4S/c1-23-11-14(17(22-23)29-2)18(26)24(10-12-5-3-4-8-20-12)19-21-15-7-6-13(25(27)28)9-16(15)30-19/h3-9,11H,10H2,1-2H3
InChIKeyQYUJORCOSUNRMJ-UHFFFAOYSA-N
MW424.44 g/mol
LogP3.19
Rot. Bonds6

About 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 43987628) has the molecular formula C19H16N6O4S and a molecular weight of 424.44 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID43987628
Molecular FormulaC19H16N6O4S
Molecular Weight424.44 g/mol
Exact Mass424.10
IUPAC Name3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C19H16N6O4S/c1-23-11-14(17(22-23)29-2)18(26)24(10-12-5-3-4-8-20-12)19-21-15-7-6-13(25(27)28)9-16(15)30-19/h3-9,11H,10H2,1-2H3
InChIKeyQYUJORCOSUNRMJ-UHFFFAOYSA-N
XLogP3.19
TPSA116.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
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'}

Analyze 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 43987124
5-chloro-2-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986531
3,5-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986453
N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 43985956
N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 41055926
N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 41055738
N-(6-chloro-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 41055955
N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide
CID 43987637
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 18582079
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 71962499
2-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41047291
N-(6-chloro-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 16849144

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 43987628) is 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1.
What is the InChIKey of 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is QYUJORCOSUNRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4S/c1-23-11-14(17(22-23)29-2)18(26)24(10-12-5-3-4-8-20-12)19-21-15-7-6-13(25(27)28)9-16(15)30-19/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 43987628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).