3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid

C11H12N2O2S — CID 66009716

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid
SMILESCCc1nn(C)cc1-c1ccsc1C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-3-9-8(6-13(2)12-9)7-4-5-16-10(7)11(14)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyNRSRCWOYMHVULJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.41
Rot. Bonds3

About 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid

3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid (PubChem CID 66009716) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid
PubChem CID66009716
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid
SMILESCCc1nn(C)cc1-c1ccsc1C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-3-9-8(6-13(2)12-9)7-4-5-16-10(7)11(14)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyNRSRCWOYMHVULJ-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 112670116
2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840857
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzoic acid
CID 66007874
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid
CID 107464583
3-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 63798219
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 112671315
3-chloro-5-(3-ethyl-1-methylpyrazol-4-yl)benzoic acid
CID 107957714
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
5-(3-ethyl-1-methylpyrazole-4-carbonyl)-6,7-dihydro-5H-1-benzothiophen-4-one
CID 102810691
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811827

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid (CID 66009716) is 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid is CCc1nn(C)cc1-c1ccsc1C(=O)O.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid?
The InChIKey is NRSRCWOYMHVULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-9-8(6-13(2)12-9)7-4-5-16-10(7)11(14)15/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid?
3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid has a molecular weight of 236.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 66009716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).