3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C9H6IN3O3S — CID 79685939

IUPAC3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1csc(I)c1
InChIInChI=1S/C9H6IN3O3S/c10-6-1-4(3-17-6)8(14)11-7-2-5(9(15)16)12-13-7/h1-3H,(H,15,16)(H2,11,12,13,14)
InChIKeyGGNXZVNBLKMFGZ-UHFFFAOYSA-N
MW363.14 g/mol
LogP2.03
Rot. Bonds3

About 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 79685939) has the molecular formula C9H6IN3O3S and a molecular weight of 363.14 g/mol. Its IUPAC name is 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID79685939
Molecular FormulaC9H6IN3O3S
Molecular Weight363.14 g/mol
Exact Mass362.92
IUPAC Name3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1csc(I)c1
InChIInChI=1S/C9H6IN3O3S/c10-6-1-4(3-17-6)8(14)11-7-2-5(9(15)16)12-13-7/h1-3H,(H,15,16)(H2,11,12,13,14)
InChIKeyGGNXZVNBLKMFGZ-UHFFFAOYSA-N
XLogP2.03
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide
CID 113233452
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528846
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-[(5-fluoropyridine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 104785610
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523899
3-[[3-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 79685939) is 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(Nc1cc(C(=O)O)[nH]n1)c1csc(I)c1.
What is the InChIKey of 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is GGNXZVNBLKMFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3O3S/c10-6-1-4(3-17-6)8(14)11-7-2-5(9(15)16)12-13-7/h1-3H,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 363.14 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 79685939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).