4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid

C12H14N2O2S — CID 141216223

IUPAC4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid
SMILESCCCc1sc(C(=O)O)cc1-c1ccnn1C
InChIInChI=1S/C12H14N2O2S/c1-3-4-10-8(7-11(17-10)12(15)16)9-5-6-13-14(9)2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyBYUKENZZAIAWSW-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.80
Rot. Bonds4

About 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid

4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid (PubChem CID 141216223) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid
PubChem CID141216223
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid
SMILESCCCc1sc(C(=O)O)cc1-c1ccnn1C
InChIInChI=1S/C12H14N2O2S/c1-3-4-10-8(7-11(17-10)12(15)16)9-5-6-13-14(9)2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyBYUKENZZAIAWSW-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 58226859
4-bromo-5-propylthiophene-2-carboxylic acid
CID 3843134
4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol
CID 143181839
4-fluoro-5-propylthiophene-2-carboxylic acid
CID 22134237
4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)benzoic acid
CID 171393077
6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 106758853
2-amino-5-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid
CID 151139228
2-chloro-5-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 122568225
4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114556533
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid (CID 141216223) is 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid is CCCc1sc(C(=O)O)cc1-c1ccnn1C.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid?
The InChIKey is BYUKENZZAIAWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-4-10-8(7-11(17-10)12(15)16)9-5-6-13-14(9)2/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid?
4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid has a molecular weight of 250.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 141216223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).