3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C9H6ClN3O3S — CID 64526265

IUPAC3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1
InChIInChI=1S/C9H6ClN3O3S/c10-6-2-1-5(17-6)8(14)11-7-3-4(9(15)16)12-13-7/h1-3H,(H,15,16)(H2,11,12,13,14)
InChIKeyKJSHLPUYSGETRT-UHFFFAOYSA-N
MW271.69 g/mol
LogP2.08
Rot. Bonds3

About 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526265) has the molecular formula C9H6ClN3O3S and a molecular weight of 271.69 g/mol. Its IUPAC name is 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526265
Molecular FormulaC9H6ClN3O3S
Molecular Weight271.69 g/mol
Exact Mass270.98
IUPAC Name3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1
InChIInChI=1S/C9H6ClN3O3S/c10-6-2-1-5(17-6)8(14)11-7-3-4(9(15)16)12-13-7/h1-3H,(H,15,16)(H2,11,12,13,14)
InChIKeyKJSHLPUYSGETRT-UHFFFAOYSA-N
XLogP2.08
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64529037
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527085
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 115496461
N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 75390552
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64526265) is 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1.
What is the InChIKey of 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is KJSHLPUYSGETRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O3S/c10-6-2-1-5(17-6)8(14)11-7-3-4(9(15)16)12-13-7/h1-3H,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 271.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).