4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid

C13H14N2O2S — CID 80730002

IUPAC4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1Cn1ccc(C2CC2)n1
InChIInChI=1S/C13H14N2O2S/c1-8-10(6-12(18-8)13(16)17)7-15-5-4-11(14-15)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,17)
InChIKeyRQZNBAPZRWIIQQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds4

About 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid

4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 80730002) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
PubChem CID80730002
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1Cn1ccc(C2CC2)n1
InChIInChI=1S/C13H14N2O2S/c1-8-10(6-12(18-8)13(16)17)7-15-5-4-11(14-15)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,17)
InChIKeyRQZNBAPZRWIIQQ-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid (CID 80730002) is 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1Cn1ccc(C2CC2)n1.
What is the InChIKey of 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is RQZNBAPZRWIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-10(6-12(18-8)13(16)17)7-15-5-4-11(14-15)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid?
4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 80730002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).