3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid

C11H13N3O2S — CID 103269043

IUPAC3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid
SMILESCc1nn(C)cc1NCc1ccsc1C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-7-9(6-14(2)13-7)12-5-8-3-4-17-10(8)11(15)16/h3-4,6,12H,5H2,1-2H3,(H,15,16)
InChIKeyAJDCZBFUMJZXFY-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.10
Rot. Bonds4

About 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid

3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103269043) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103269043
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid
SMILESCc1nn(C)cc1NCc1ccsc1C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-7-9(6-14(2)13-7)12-5-8-3-4-17-10(8)11(15)16/h3-4,6,12H,5H2,1-2H3,(H,15,16)
InChIKeyAJDCZBFUMJZXFY-UHFFFAOYSA-N
XLogP2.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-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

Related Compounds

3-[(4-chloro-2-methylanilino)methyl]thiophene-2-carboxylic acid
CID 114256104
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
3-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 106105555
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 102806241
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136836633
1,3-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrazol-4-amine
CID 104954480
3-[(4-chloro-2-fluoroanilino)methyl]thiophene-2-carboxylic acid
CID 103247413
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112669931
N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 106863330
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
3-[(4-chloro-2-iodoanilino)methyl]thiophene-2-carboxylic acid
CID 107636589

Frequently Asked Questions

What is the IUPAC name of 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid (CID 103269043) is 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid is Cc1nn(C)cc1NCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is AJDCZBFUMJZXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-9(6-14(2)13-7)12-5-8-3-4-17-10(8)11(15)16/h3-4,6,12H,5H2,1-2H3,(H,15,16).
What are the key properties of 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid?
3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103269043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).