1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

C13H11N5OS — CID 43475407

IUPAC1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESNc1cccc(-n2ccc(C(=O)Nc3nccs3)n2)c1
InChIInChI=1S/C13H11N5OS/c14-9-2-1-3-10(8-9)18-6-4-11(17-18)12(19)16-13-15-5-7-20-13/h1-8H,14H2,(H,15,16,19)
InChIKeyZWBDBPLYDSZVIM-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.16
Rot. Bonds3

About 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 43475407) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID43475407
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESNc1cccc(-n2ccc(C(=O)Nc3nccs3)n2)c1
InChIInChI=1S/C13H11N5OS/c14-9-2-1-3-10(8-9)18-6-4-11(17-18)12(19)16-13-15-5-7-20-13/h1-8H,14H2,(H,15,16,19)
InChIKeyZWBDBPLYDSZVIM-UHFFFAOYSA-N
XLogP2.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 61393305
1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
CID 114911543
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072
N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 154857565
1-(3-chlorophenyl)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
CID 47739921
1-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4867001
3-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146079000
[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475408
cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 62383833
4-amino-1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641889
N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108515980
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 43475407) is 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is Nc1cccc(-n2ccc(C(=O)Nc3nccs3)n2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is ZWBDBPLYDSZVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-9-2-1-3-10(8-9)18-6-4-11(17-18)12(19)16-13-15-5-7-20-13/h1-8H,14H2,(H,15,16,19).
What are the key properties of 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 43475407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).