5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid

C6H3ClN2O2S — CID 84671102

IUPAC5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(Cl)sc12
InChIInChI=1S/C6H3ClN2O2S/c7-3-1-2-5(12-3)4(6(10)11)9-8-2/h1H,(H,8,9)(H,10,11)
InChIKeyRKGYONHPBBZXHT-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.98
Rot. Bonds1

About 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid

5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid (PubChem CID 84671102) has the molecular formula C6H3ClN2O2S and a molecular weight of 202.62 g/mol. Its IUPAC name is 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
PubChem CID84671102
Molecular FormulaC6H3ClN2O2S
Molecular Weight202.62 g/mol
Exact Mass201.96
IUPAC Name5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(Cl)sc12
InChIInChI=1S/C6H3ClN2O2S/c7-3-1-2-5(12-3)4(6(10)11)9-8-2/h1H,(H,8,9)(H,10,11)
InChIKeyRKGYONHPBBZXHT-UHFFFAOYSA-N
XLogP1.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
CID 3156992
3-Amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid
CID 83681169
4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
CID 21071147
3-iodo-1H-thieno[3,2-c]pyrazole-5-carboxylic acid
CID 57637318
1H-thieno[3,2-c]pyrazole-5-carboxylic acid
CID 59640827
5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid
CID 174409578
3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid
CID 3992518
5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylate
CID 7048411
4-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82477901
5-[2-(5-chlorothiophen-2-yl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
CID 82488219
3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid
CID 83681168
5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
CID 96614418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid?
The IUPAC name of 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid (CID 84671102) is 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c2cc(Cl)sc12.
What is the InChIKey of 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid?
The InChIKey is RKGYONHPBBZXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2S/c7-3-1-2-5(12-3)4(6(10)11)9-8-2/h1H,(H,8,9)(H,10,11).
What are the key properties of 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid?
5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid has a molecular weight of 202.62 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 84671102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).