1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid

C12H12N2O2S — CID 121211052

IUPAC1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nn1CC1CC1
InChIInChI=1S/C12H12N2O2S/c15-12(16)10-6-9(11-2-1-5-17-11)13-14(10)7-8-3-4-8/h1-2,5-6,8H,3-4,7H2,(H,15,16)
InChIKeyWSQIGOUTBAFEGZ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.72
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid

1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid (PubChem CID 121211052) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
PubChem CID121211052
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nn1CC1CC1
InChIInChI=1S/C12H12N2O2S/c15-12(16)10-6-9(11-2-1-5-17-11)13-14(10)7-8-3-4-8/h1-2,5-6,8H,3-4,7H2,(H,15,16)
InChIKeyWSQIGOUTBAFEGZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid (CID 121211052) is 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccs2)nn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The InChIKey is WSQIGOUTBAFEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(16)10-6-9(11-2-1-5-17-11)13-14(10)7-8-3-4-8/h1-2,5-6,8H,3-4,7H2,(H,15,16).
What are the key properties of 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 121211052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).