5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid

C9H8N2O2S — CID 19616663

IUPAC5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cccn2)s1
InChIInChI=1S/C9H8N2O2S/c12-9(13)8-3-2-7(14-8)6-11-5-1-4-10-11/h1-5H,6H2,(H,12,13)
InChIKeySHJNJZMFMCCRON-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.69
Rot. Bonds3

About 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid

5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 19616663) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid
PubChem CID19616663
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cccn2)s1
InChIInChI=1S/C9H8N2O2S/c12-9(13)8-3-2-7(14-8)6-11-5-1-4-10-11/h1-5H,6H2,(H,12,13)
InChIKeySHJNJZMFMCCRON-UHFFFAOYSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 19620495
5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377869
5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63377944
5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474717
5-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64780729
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
CID 55183628
5-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carboxylic acid
CID 63378241
5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775
5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55249100
5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 63378048
5-[(4,5-dimethylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63378136
5-(iodomethyl)thiophene-2-carboxylic acid
CID 89145755

Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid (CID 19616663) is 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2cccn2)s1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is SHJNJZMFMCCRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)8-3-2-7(14-8)6-11-5-1-4-10-11/h1-5H,6H2,(H,12,13).
What are the key properties of 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid?
5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 19616663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).