5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid

C14H17N3O3S — CID 43171266

IUPAC5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)n(CCC(=O)Nc2cc(C)c(C(=O)O)s2)n1
InChIInChI=1S/C14H17N3O3S/c1-8-6-12(21-13(8)14(19)20)15-11(18)4-5-17-10(3)7-9(2)16-17/h6-7H,4-5H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyRVRQCEJOPKOAJA-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.60
Rot. Bonds5

About 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid

5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43171266) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43171266
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)n(CCC(=O)Nc2cc(C)c(C(=O)O)s2)n1
InChIInChI=1S/C14H17N3O3S/c1-8-6-12(21-13(8)14(19)20)15-11(18)4-5-17-10(3)7-9(2)16-17/h6-7H,4-5H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyRVRQCEJOPKOAJA-UHFFFAOYSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid (CID 43171266) is 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(C)n(CCC(=O)Nc2cc(C)c(C(=O)O)s2)n1.
What is the InChIKey of 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is RVRQCEJOPKOAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-6-12(21-13(8)14(19)20)15-11(18)4-5-17-10(3)7-9(2)16-17/h6-7H,4-5H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid?
5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43171266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).