2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

C14H17N3O3S — CID 43356733

IUPAC2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1n[nH]c(C)c1CC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C14H17N3O3S/c1-6-9(4)21-13(12(6)14(19)20)15-11(18)5-10-7(2)16-17-8(10)3/h5H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyZDJJUDLIVCTTAY-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.58
Rot. Bonds4

About 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 43356733) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID43356733
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1n[nH]c(C)c1CC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C14H17N3O3S/c1-6-9(4)21-13(12(6)14(19)20)15-11(18)5-10-7(2)16-17-8(10)3/h5H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyZDJJUDLIVCTTAY-UHFFFAOYSA-N
XLogP2.58
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 43356733) is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is Cc1n[nH]c(C)c1CC(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is ZDJJUDLIVCTTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-6-9(4)21-13(12(6)14(19)20)15-11(18)5-10-7(2)16-17-8(10)3/h5H2,1-4H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 43356733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).