2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid

C13H15N3O3S — CID 61019164

IUPAC2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCc1cc(C(=O)Nc2cnn(CC(=O)O)c2)sc1C
InChIInChI=1S/C13H15N3O3S/c1-3-9-4-11(20-8(9)2)13(19)15-10-5-14-16(6-10)7-12(17)18/h4-6H,3,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQYTKMPMZVHRWSX-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.15
Rot. Bonds5

About 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 61019164) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID61019164
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCc1cc(C(=O)Nc2cnn(CC(=O)O)c2)sc1C
InChIInChI=1S/C13H15N3O3S/c1-3-9-4-11(20-8(9)2)13(19)15-10-5-14-16(6-10)7-12(17)18/h4-6H,3,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQYTKMPMZVHRWSX-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61017722
2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 138002030
2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 138002036
4-ethyl-5-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 35023006
5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 43429906
2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65205791
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500803
2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61019180
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 61019164) is 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid is CCc1cc(C(=O)Nc2cnn(CC(=O)O)c2)sc1C.
What is the InChIKey of 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is QYTKMPMZVHRWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-9-4-11(20-8(9)2)13(19)15-10-5-14-16(6-10)7-12(17)18/h4-6H,3,7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 293.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61019164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).